8CF0
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![BU of 8cf0 by Molmil](/molmil-images/mine/8cf0) | Crystal structure of human DNA cross-link repair 1A in complex with quinoxalinedione inhibitor H2 | Descriptor: | 9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | Deposit date: | 2023-02-02 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal structure of human DNA cross-link repair 1A in complex with quinoxalinedione inhibitor H2 To Be Published
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3Q5I
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![BU of 3q5i by Molmil](/molmil-images/mine/3q5i) | Crystal Structure of PBANKA_031420 | Descriptor: | CALCIUM ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Wernimont, A.K, Hutchinson, A, Sullivan, H, Panico, E, Crombet, L, Cossar, D, Hassani, A, Vedadi, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Neculai, A.M, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2010-12-28 | Release date: | 2011-06-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of CDPK1 from Plasmodium Bergheii, PBANKA_031420 To be Published
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7R4N
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![BU of 7r4n by Molmil](/molmil-images/mine/7r4n) | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-N-methyl-1H-indazole-3-carboxamide, FLAVIN MONONUCLEOTIDE, ... | Authors: | Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | Deposit date: | 2022-02-08 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide To Be Published
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8PJI
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![BU of 8pji by Molmil](/molmil-images/mine/8pji) | MLLT1 in complex with compound 10a | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Protein ENL, ... | Authors: | Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C. | Deposit date: | 2023-06-23 | Release date: | 2023-11-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3. Bioorg.Med.Chem.Lett., 98, 2023
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3QWL
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![BU of 3qwl by Molmil](/molmil-images/mine/3qwl) | Crystal structure of human TBC1 domain family member 7 | Descriptor: | TBC1 domain family member 7, UNKNOWN ATOM OR ION | Authors: | Guan, X, Tempel, W, Tong, Y, Wernimont, A.K, Landry, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-02-28 | Release date: | 2011-06-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of human TBC1 domain family member 7 to be published
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3KCI
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![BU of 3kci by Molmil](/molmil-images/mine/3kci) | The third RLD domain of HERC2 | Descriptor: | Probable E3 ubiquitin-protein ligase HERC2 | Authors: | Walker, J.R, Qiu, L, Vesterberg, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S. | Deposit date: | 2009-10-21 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the Third RLD Domain of Herc2 To be Published
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8P2Y
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![BU of 8p2y by Molmil](/molmil-images/mine/8p2y) | Structure of human SIT1:ACE2 complex (closed PD conformation) | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | Deposit date: | 2023-05-16 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2 To be published
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8P2X
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![BU of 8p2x by Molmil](/molmil-images/mine/8p2x) | Structure of human SIT1:ACE2 complex (open PD conformation) | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | Deposit date: | 2023-05-16 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2 To be published
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6MEW
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![BU of 6mew by Molmil](/molmil-images/mine/6mew) | RFXANK ankyrin repeats in complex with a RFX7 peptide | Descriptor: | DNA-binding protein RFXANK, RFX7 peptide, UNKNOWN ATOM OR ION | Authors: | Tempel, W, Xu, C, Dong, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-07 | Release date: | 2018-10-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | RFXANK ankyrin repeats in complex with a RFX7 peptide to be published
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7R4O
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![BU of 7r4o by Molmil](/molmil-images/mine/7r4o) | Structure of human hydroxyacid oxidase 1 bound with 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one | Descriptor: | 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | Authors: | Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | Deposit date: | 2022-02-08 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide To Be Published
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4AGU
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![BU of 4agu by Molmil](/molmil-images/mine/4agu) | CRYSTAL STRUCTURE OF THE HUMAN CDKL1 KINASE DOMAIN | Descriptor: | CYCLIN-DEPENDENT KINASE-LIKE 1, N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide | Authors: | Canning, P, Sharpe, T.D, Allerston, C, Savitsky, P, Pike, A.C.W, Muniz, J.R.C, Chaikuad, A, Kuo, K, Burgess-Brown, N, Ayinampudi, V, Zhang, Y, Thangaratnarajah, C, Ugochukwu, E, Vollmar, M, Krojer, T, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Knapp, S, Bullock, A. | Deposit date: | 2012-01-31 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function. Cell Rep, 22, 2018
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3RBN
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![BU of 3rbn by Molmil](/molmil-images/mine/3rbn) | Crystal structure of MutL protein homolog 1 isoform 1 [Homo sapiens] | Descriptor: | DNA mismatch repair protein Mlh1 | Authors: | Dong, A, Dombrovsky, L, Wernimont, A, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-03-29 | Release date: | 2011-04-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of MutL protein homolog 1 isoform 1 [Homo sapiens] To be Published
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8QZ2
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![BU of 8qz2 by Molmil](/molmil-images/mine/8qz2) | Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an inhibitory nanobody (Nb61) | Descriptor: | Nanobody 61, POTASSIUM ION, Potassium channel subfamily K member 10 | Authors: | Baronina, A, Pike, A.C.W, Rodstrom, K.E.J, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2023-10-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation. Nat Commun, 15, 2024
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8QZ1
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![BU of 8qz1 by Molmil](/molmil-images/mine/8qz1) | Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with a nanobody (Nb58) | Descriptor: | Isoform B of Potassium channel subfamily K member 10, Nanobody 58, POTASSIUM ION | Authors: | Rodstrom, K.E.J, Pike, A.C.W, Baronina, A, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2023-10-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.588 Å) | Cite: | Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation. Nat Commun, 15, 2024
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8QZ3
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![BU of 8qz3 by Molmil](/molmil-images/mine/8qz3) | Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an activatory nanobody (Nb67) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Nanobody 67, POTASSIUM ION, ... | Authors: | Baronina, A, Pike, A.C.W, Rodstrom, K.E.J, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2023-10-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation. Nat Commun, 15, 2024
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8QZ4
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![BU of 8qz4 by Molmil](/molmil-images/mine/8qz4) | Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an activatory nanobody (Nb76) | Descriptor: | BARIUM ION, CHOLESTEROL HEMISUCCINATE, Nanobody 76, ... | Authors: | Rodstrom, K.E.J, Pike, A.C.W, Baronina, A, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2023-10-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation. Nat Commun, 15, 2024
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5Q1R
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![BU of 5q1r by Molmil](/molmil-images/mine/5q1r) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000291a | Descriptor: | 3-(azepan-1-ylmethyl)-1~{H}-indole, DNA cross-link repair 1A protein, MALONATE ION, ... | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-15 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q1Q
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![BU of 5q1q by Molmil](/molmil-images/mine/5q1q) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000294a | Descriptor: | 8-[(dimethylamino)methyl]-4-methyl-7-oxidanyl-chromen-2-one, DNA cross-link repair 1A protein, MALONATE ION, ... | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-15 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | PanDDA analysis group deposition To Be Published
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3QIJ
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![BU of 3qij by Molmil](/molmil-images/mine/3qij) | Primitive-monoclinic crystal structure of the FERM domain of protein 4.1R | Descriptor: | Protein 4.1, UNKNOWN ATOM OR ION | Authors: | Nedyalkova, L, Zhong, N, Tong, Y, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-01-27 | Release date: | 2011-02-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Primitive-monoclinic crystal structure of the FERM domain of protein 4.1R to be published
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3NF1
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![BU of 3nf1 by Molmil](/molmil-images/mine/3nf1) | Crystal structure of the TPR domain of kinesin light chain 1 | Descriptor: | Kinesin light chain 1 | Authors: | Tong, Y, Tempel, W, Shen, L, Shen, Y, Nedyalkova, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-06-09 | Release date: | 2011-05-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the TPR domain of kinesin light chain 1 to be published
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3SMS
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![BU of 3sms by Molmil](/molmil-images/mine/3sms) | Human Pantothenate kinase 3 in complex with a pantothenate analog | Descriptor: | (2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase 3, ... | Authors: | Mottaghi, K, Tempel, W, Hong, B, Smil, D, Bolshan, Y, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-06-28 | Release date: | 2011-07-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Human Pantothenate kinase 3 in complex with a pantothenate analog to be published
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5MPO
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![BU of 5mpo by Molmil](/molmil-images/mine/5mpo) | Crystal structure of human molybdopterin synthase complex | Descriptor: | Molybdopterin synthase catalytic subunit, Molybdopterin synthase sulfur carrier subunit | Authors: | Kopec, J, Bailey, H, Fitzpatrick, F, Strain-Damerell, C, Oberholzer, A.E, Williams, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2016-12-16 | Release date: | 2016-12-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Crystal structure of human molybdopterin synthase complex To Be Published
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8BLV
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![BU of 8blv by Molmil](/molmil-images/mine/8blv) | The PDZ domains of human SDCBP with a bound SDC4 C-terminal peptide | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Syndecan-4, ... | Authors: | Bradshaw, W.J, Katis, V.L, Daniel-Mozo, M, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2022-11-10 | Release date: | 2022-12-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The PDZ domains of human SDCBP with a bound SDC4 C-terminal peptide To Be Published
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8RU1
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![BU of 8ru1 by Molmil](/molmil-images/mine/8ru1) | Chromatin remodeling regulator CECR2 with in crystallo disulfide bond | Descriptor: | Chromatin remodeling regulator CECR2, GLYCEROL, SODIUM ION | Authors: | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2024-01-29 | Release date: | 2024-03-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants To Be Published
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5NXC
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![BU of 5nxc by Molmil](/molmil-images/mine/5nxc) | LIM Domain Kinase 1 (LIMK1) In Complex With PF-00477736 | Descriptor: | (2~{R})-2-azanyl-2-cyclohexyl-~{N}-[2-(1-methylpyrazol-4-yl)-9-oxidanylidene-3,10,11-triazatricyclo[6.4.1.0^{4,13}]trideca-1,4,6,8(13),11-pentaen-6-yl]ethanamide, LIM domain kinase 1 | Authors: | Mathea, S, Salah, E, Pike, A.C.W, Bushell, S, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Knapp, S. | Deposit date: | 2017-05-10 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | LIM Domain Kinase (LIMK1) In Complex With PF-00477736 To Be Published
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