5MJC
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![BU of 5mjc by Molmil](/molmil-images/mine/5mjc) | metNeuroglobin under oxygen at 50 bar | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Neuroglobin, OXYGEN MOLECULE, ... | Authors: | Prange, T, Colloc'h, N, Carpentier, P, Vallone, B. | Deposit date: | 2016-11-30 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments. Iucrj, 6, 2019
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6RV2
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![BU of 6rv2 by Molmil](/molmil-images/mine/6rv2) | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ... | Authors: | Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-05-30 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A lower X-gate in TASK channels traps inhibitors within the vestibule. Nature, 582, 2020
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6TW3
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![BU of 6tw3 by Molmil](/molmil-images/mine/6tw3) | HumRadA2 in complex with Naphthyl-HPA fragment-peptide chimera | Descriptor: | (2~{S})-1-[(2~{S})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{H}-imidazol-4-yl)propanoyl]-~{N}-[(2~{S})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide, DNA repair and recombination protein RadA, PHOSPHATE ION | Authors: | Marsh, M.E, Fischer, G, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | Deposit date: | 2020-01-12 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.352 Å) | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death. Cell Chem Biol, 28, 2021
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6TW4
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![BU of 6tw4 by Molmil](/molmil-images/mine/6tw4) | HumRadA22F in complex with compound 6 | Descriptor: | CALCIUM ION, DNA repair and recombination protein RadA, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide | Authors: | Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | Deposit date: | 2020-01-12 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death. Cell Chem Biol, 28, 2021
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6TW9
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![BU of 6tw9 by Molmil](/molmil-images/mine/6tw9) | HumRadA22F in complex with CAM833 | Descriptor: | CALCIUM ION, DNA repair and recombination protein RadA, GLYCEROL, ... | Authors: | Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | Deposit date: | 2020-01-12 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death. Cell Chem Biol, 28, 2021
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1VJ6
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![BU of 1vj6 by Molmil](/molmil-images/mine/1vj6) | |
1TNN
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![BU of 1tnn by Molmil](/molmil-images/mine/1tnn) | |
7O4W
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![BU of 7o4w by Molmil](/molmil-images/mine/7o4w) | |
5WCJ
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![BU of 5wcj by Molmil](/molmil-images/mine/5wcj) | Crystal Structure of Human Methyltransferase-like protein 13 in complex with SAH | Descriptor: | Methyltransferase-like protein 13, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION | Authors: | Halabelian, L, Loppnau, P, Seitova, A, Hutchinson, A, Hunt, B, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-30 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The dual methyltransferase METTL13 targets N terminus and Lys55 of eEF1A and modulates codon-specific translation rates. Nat Commun, 9, 2018
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1TNM
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![BU of 1tnm by Molmil](/molmil-images/mine/1tnm) | |
2DKV
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![BU of 2dkv by Molmil](/molmil-images/mine/2dkv) | Crystal structure of class I chitinase from Oryza sativa L. japonica | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, chitinase | Authors: | Kezuka, Y, Nishizawa, Y, Watanabe, T, Nonaka, T. | Deposit date: | 2006-04-14 | Release date: | 2007-05-01 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of full-length class I chitinase from rice revealed by X-ray crystallography and small-angle X-ray scattering. Proteins, 78, 2010
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5TEY
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![BU of 5tey by Molmil](/molmil-images/mine/5tey) | Human METTL3-METTL14 complex | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ... | Authors: | DONG, A, ZENG, H, LI, Y, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-23 | Release date: | 2016-11-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Human METTL3-METTL14 complex to be published
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6GSR
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![BU of 6gsr by Molmil](/molmil-images/mine/6gsr) | Single Particle Cryo-EM map of human Transferrin receptor 1 - H-Ferritin complex at 5.5 Angstrom resolution. | Descriptor: | Ferritin heavy chain, Transferrin receptor protein 1 | Authors: | Testi, C, Montemiglio, L.C, Vallone, B, Des Georges, A, Boffi, A, Mancia, F, Baiocco, P. | Deposit date: | 2018-06-15 | Release date: | 2019-03-27 | Last modified: | 2019-05-08 | Method: | ELECTRON MICROSCOPY (5.5 Å) | Cite: | Cryo-EM structure of the human ferritin-transferrin receptor 1 complex. Nat Commun, 10, 2019
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6H5I
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![BU of 6h5i by Molmil](/molmil-images/mine/6h5i) | Single Particle Cryo-EM map of human Transferrin receptor 1 - H-Ferritin complex. | Descriptor: | Ferritin heavy chain, Transferrin receptor protein 1 | Authors: | Testi, C, Montemiglio, L.C, Vallone, B, Des Georges, A, Boffi, A, Mancia, F, Baiocco, P, Savino, C. | Deposit date: | 2018-07-24 | Release date: | 2019-03-27 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structure of the human ferritin-transferrin receptor 1 complex. Nat Commun, 10, 2019
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3QQQ
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![BU of 3qqq by Molmil](/molmil-images/mine/3qqq) | Crystal structure of non-symbiotic plant hemoglobin from Trema tomentosa | Descriptor: | Non-symbiotic hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Kakar, S, Sturms, R, Savage, A, Nix, J.C, Dispirito, A, Hargrove, M.S. | Deposit date: | 2011-02-16 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structures of Parasponia and Trema hemoglobins: differential heme coordination is linked to quaternary structure. Biochemistry, 50, 2011
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3QQR
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![BU of 3qqr by Molmil](/molmil-images/mine/3qqr) | Crystal structure of Parasponia hemoglobin; Differential Heme Coordination is Linked to Quaternary Structure | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Non-legume hemoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kakar, S, Sturms, R, Savage, A, Nix, J.C, Dispirito, A, Hargrove, M.S. | Deposit date: | 2011-02-16 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structures of Parasponia and Trema hemoglobins: differential heme coordination is linked to quaternary structure. Biochemistry, 50, 2011
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2ZKN
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5E16
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![BU of 5e16 by Molmil](/molmil-images/mine/5e16) | Co-crystal structure of the N-termial cGMP binding domain of Plasmodium falciparum PKG with cGMP | Descriptor: | CGMP-dependent protein kinase, CYCLIC GUANOSINE MONOPHOSPHATE | Authors: | El Bakkouri, M, Walker, J.R, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-29 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation. Proc.Natl.Acad.Sci.USA, 116, 2019
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6ERG
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![BU of 6erg by Molmil](/molmil-images/mine/6erg) | Complex of XLF and heterodimer Ku bound to DNA | Descriptor: | DNA (21-MER), DNA (34-MER), Non-homologous end-joining factor 1, ... | Authors: | Nemoz, C, Legrand, P, Ropars, V, Charbonnier, J.B. | Deposit date: | 2017-10-18 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | XLF and APLF bind Ku80 at two remote sites to ensure DNA repair by non-homologous end joining. Nat. Struct. Mol. Biol., 25, 2018
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6FWZ
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![BU of 6fwz by Molmil](/molmil-images/mine/6fwz) | Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with UDP-GlcNAc | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, MAGNESIUM ION, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, ... | Authors: | Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-07 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design. Cell, 175, 2018
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6CBY
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![BU of 6cby by Molmil](/molmil-images/mine/6cby) | Crystal structure of human SET and MYND Domain Containing protein 2 with MTF9975 | Descriptor: | N-lysine methyltransferase SMYD2, ZINC ION, [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone | Authors: | ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-05 | Release date: | 2018-03-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase. J.Med.Chem., 62, 2019
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6FM9
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![BU of 6fm9 by Molmil](/molmil-images/mine/6fm9) | Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase | Authors: | Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2018-01-30 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design. Cell, 175, 2018
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6CVZ
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![BU of 6cvz by Molmil](/molmil-images/mine/6cvz) | Crystal structure of the WD40-repeat of RFWD3 | Descriptor: | E3 ubiquitin-protein ligase RFWD3, MAGNESIUM ION | Authors: | DONG, A, LOPPNAU, P, SEITOVA, A, HUTCHINSON, A, TEMPEL, W, WEI, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, TONG, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-29 | Release date: | 2018-06-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Target highlights in CASP13: Experimental target structures through the eyes of their authors. Proteins, 87, 2019
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6ERH
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![BU of 6erh by Molmil](/molmil-images/mine/6erh) | Complex of XLF and heterodimer Ku bound to DNA | Descriptor: | DNA (21-MER), DNA (34-MER), Non-homologous end-joining factor 1, ... | Authors: | Nemoz, C, Legrand, P, Ropars, V, Charbonnier, J.B. | Deposit date: | 2017-10-18 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | XLF and APLF bind Ku80 at two remote sites to ensure DNA repair by non-homologous end joining. Nat. Struct. Mol. Biol., 25, 2018
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6ERF
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![BU of 6erf by Molmil](/molmil-images/mine/6erf) | Complex of APLF factor and Ku heterodimer bound to DNA | Descriptor: | Aprataxin and PNK-like factor, DNA (34-MER), DNA (5'-D(*GP*TP*TP*TP*TP*TP*AP*GP*TP*TP*TP*AP*TP*TP*GP*GP*GP*CP*GP*CP*G)-3'), ... | Authors: | Nemoz, C, Legrand, P, Ropars, V, Charbonnier, J.B. | Deposit date: | 2017-10-18 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | XLF and APLF bind Ku80 at two remote sites to ensure DNA repair by non-homologous end joining. Nat.Struct.Mol.Biol., 25, 2018
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