6ZR5
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![BU of 6zr5 by Molmil](/molmil-images/mine/6zr5) | Crystal structure of JNK1 in complex with ATF2(19-58) | Descriptor: | Cyclic AMP-dependent transcription factor ATF-2, MAGNESIUM ION, Mitogen-activated protein kinase 8, ... | Authors: | Kirsch, K, Zeke, A, Remenyi, A. | Deposit date: | 2020-07-10 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.699 Å) | Cite: | Co-regulation of the transcription controlling ATF2 phosphoswitch by JNK and p38. Nat Commun, 11, 2020
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1KW3
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![BU of 1kw3 by Molmil](/molmil-images/mine/1kw3) | Crystal structure of 2,3-dihydroxybiphenyal dioxygenase (BphC) at 1.45 A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3-Dihydroxybiphenyl dioxygenase, FE (II) ION | Authors: | Sato, N, Uragami, Y, Nishizaki, T, Takahashi, Y, Sazaki, G, Sugimoto, K, Nonaka, T, Masai, E, Fukuda, M, Senda, T. | Deposit date: | 2002-01-28 | Release date: | 2003-01-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structures of the Reaction Intermediate and its Homologue of an Extradiol-cleaving Catecholic Dioxygenase J.Mol.Biol., 321, 2002
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8GU7
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![BU of 8gu7 by Molmil](/molmil-images/mine/8gu7) | |
8GT9
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![BU of 8gt9 by Molmil](/molmil-images/mine/8gt9) | |
4Z5D
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![BU of 4z5d by Molmil](/molmil-images/mine/4z5d) | HipB-O4 21mer complex | Descriptor: | Antitoxin HipB, DNA (5'-D(*TP*TP*TP*AP*TP*CP*CP*GP*CP*GP*AP*TP*CP*GP*CP*GP*GP*AP*TP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*TP*CP*CP*GP*CP*GP*AP*TP*CP*GP*CP*GP*GP*AP*TP*AP*A)-3') | Authors: | Min, J, Brennan, R.G, Schumacher, M.A. | Deposit date: | 2015-04-02 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Molecular mechanism on hipBA gene regulation. To be published
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8G2R
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![BU of 8g2r by Molmil](/molmil-images/mine/8g2r) | CRYSTAL STRUCTURE OF THE KPC-2 D179N VARIANT IN COMPLEX WITH AVIBACTAM | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Alsenani, T, van den Akker, F. | Deposit date: | 2023-02-06 | Release date: | 2023-08-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Exploring avibactam and relebactam inhibition of Klebsiella pneumoniae carbapenemase D179N variant: role of the Omega loop-held deacylation water. Antimicrob.Agents Chemother., 67, 2023
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8G2T
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1KMT
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![BU of 1kmt by Molmil](/molmil-images/mine/1kmt) | Crystal structure of RhoGDI Glu(154,155)Ala mutant | Descriptor: | Rho GDP-dissociation inhibitor 1 | Authors: | Mateja, A, Devedjiev, Y, Krowarsh, D, Longenecker, K, Dauter, Z, Otlewski, J, Derewenda, Z.S. | Deposit date: | 2001-12-17 | Release date: | 2002-12-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The impact of Glu-->Ala and Glu-->Asp mutations on the crystallization properties of RhoGDI: the structure of RhoGDI at 1.3 A resolution. Acta Crystallogr.,Sect.D, 58, 2002
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1KHQ
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![BU of 1khq by Molmil](/molmil-images/mine/1khq) | ORTHORHOMBIC FORM OF PAPAIN/ZLFG-DAM COVALENT COMPLEX | Descriptor: | Papain, peptidic inhibitor | Authors: | Janowski, R, Kozak, M, Jankowska, E, Grzonka, Z, Jaskolski, M. | Deposit date: | 2001-11-30 | Release date: | 2003-09-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Two polymorphs of a covalent complex between papain and a diazomethylketone inhibitor J.Pept.Res., 64, 2004
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2E8T
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![BU of 2e8t by Molmil](/molmil-images/mine/2e8t) | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium, FsPP and IPP | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, ... | Authors: | Guo, R.T, Ko, T.P, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-01-23 | Release date: | 2007-06-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases Proc.Natl.Acad.Sci.Usa, 104, 2007
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1KO4
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![BU of 1ko4 by Molmil](/molmil-images/mine/1ko4) | Crystal structure of gluconate kinase | Descriptor: | CHLORIDE ION, Gluconate kinase | Authors: | Kraft, L, Sprenger, G.A, Lindqvist, Y. | Deposit date: | 2001-12-20 | Release date: | 2002-05-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Conformational changes during the catalytic cycle of gluconate kinase as revealed by X-ray crystallography. J.Mol.Biol., 318, 2002
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6XFO
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![BU of 6xfo by Molmil](/molmil-images/mine/6xfo) | |
6XG3
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![BU of 6xg3 by Molmil](/molmil-images/mine/6xg3) | The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, at room temperature | Descriptor: | CHLORIDE ION, Non-structural protein 3, PHOSPHATE ION, ... | Authors: | Osipiuk, J, Tesar, C, Jedrzejczak, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-06-16 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors. Nat Commun, 12, 2021
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6XNP
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![BU of 6xnp by Molmil](/molmil-images/mine/6xnp) | Crystal Structure of Human STING CTD complex with SR-717 | Descriptor: | 1,2-ETHANEDIOL, 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, GLYCEROL, ... | Authors: | Chin, E.N, Yu, C, Wolan, D.W, Petrassi, H.M, Lairson, L.L. | Deposit date: | 2020-07-03 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic. Science, 369, 2020
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8GBU
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![BU of 8gbu by Molmil](/molmil-images/mine/8gbu) | Hepatitis B capsid Y132A mutant with compound AB-506 | Descriptor: | (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl}carbamate, 1,2-ETHANEDIOL, Capsid protein | Authors: | Horanyi, P.S, Mayclin, S.J. | Deposit date: | 2023-02-28 | Release date: | 2023-09-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, synthesis, and structure-activity relationship of a bicyclic HBV capsid assembly modulator chemotype leading to the identification of clinical candidate AB-506. Bioorg.Med.Chem.Lett., 94, 2023
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8GRJ
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![BU of 8grj by Molmil](/molmil-images/mine/8grj) | Crystal structure of gamma-alpha subunit complex from Burkholderia cepacia FAD glucose dehydrogenase in complex with gluconolactone | Descriptor: | D-glucono-1,5-lactone, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Yoshida, H, Kojima, K, Tsugawa, W, Okuda-Shimazaki, J, Kerrigan, J.A, Sode, K. | Deposit date: | 2022-09-01 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structure of gamma-alpha subunit complex from Burkholderia cepacia FAD glucose dehydrogenase in complex with gluconolactone To Be Published
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8GJA
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![BU of 8gja by Molmil](/molmil-images/mine/8gja) | RAD51C-XRCC3 structure | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, RAD51C, ... | Authors: | Arvai, A.S, Tainer, J.A, Williams, G, Longo, M.A. | Deposit date: | 2023-03-15 | Release date: | 2023-08-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles. Nat Commun, 14, 2023
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1K3I
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![BU of 1k3i by Molmil](/molmil-images/mine/1k3i) | Crystal Structure of the Precursor of Galactose Oxidase | Descriptor: | ACETATE ION, CALCIUM ION, Galactose Oxidase Precursor, ... | Authors: | Firbank, S.J, Rogers, M.S, Wilmot, C.M, Dooley, D.M, Halcrow, M.A, Knowles, P.F, McPherson, M.J, Phillips, S.E.V. | Deposit date: | 2001-10-03 | Release date: | 2001-11-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of the precursor of galactose oxidase: an unusual self-processing enzyme. Proc.Natl.Acad.Sci.USA, 98, 2001
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6YZX
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![BU of 6yzx by Molmil](/molmil-images/mine/6yzx) | Carborane nido-hexyl-sulfonamide in complex with CA II | Descriptor: | Carbonic anhydrase 2, Carborane nido-hexyl-sulfonamide, ZINC ION | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | Deposit date: | 2020-05-07 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
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6Z54
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![BU of 6z54 by Molmil](/molmil-images/mine/6z54) | Crystal structure of CLK3 in complex with macrocycle ODS2003178 | Descriptor: | 1,2-ETHANEDIOL, 11,15-Dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Dual specificity protein kinase CLK3, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of CLK3 in complex with macrocycle ODS2003178 To Be Published
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6Z57
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![BU of 6z57 by Molmil](/molmil-images/mine/6z57) | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004078 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004078 To Be Published
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6YUC
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![BU of 6yuc by Molmil](/molmil-images/mine/6yuc) | Crystal structure of Uba4-Urm1 from Chaetomium thermophilum | Descriptor: | Adenylyltransferase and sulfurtransferase uba4, Ubiquitin-related modifier 1, ZINC ION | Authors: | Grudnik, P, Pabis, M, Ethiraju Ravichandran, K, Glatt, S. | Deposit date: | 2020-04-26 | Release date: | 2020-07-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Molecular basis for the bifunctional Uba4-Urm1 sulfur-relay system in tRNA thiolation and ubiquitin-like conjugation. Embo J., 39, 2020
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6YUX
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![BU of 6yux by Molmil](/molmil-images/mine/6yux) | Crystal structure of Malus domestica Double Bond Reductase (MdDBR) ternary complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ... | Authors: | Caliandro, R, Polsinelli, I, Demitri, N, Benini, S. | Deposit date: | 2020-04-27 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | The structural and functional characterization of Malus domestica double bond reductase MdDBR provides insights towards the identification of its substrates. Int.J.Biol.Macromol., 171, 2021
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8GJ8
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![BU of 8gj8 by Molmil](/molmil-images/mine/8gj8) | RAD51C C-terminal domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAD51C | Authors: | Arvai, A.S, Tainer, J.A, Williams, G. | Deposit date: | 2023-03-15 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles. Nat Commun, 14, 2023
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1K50
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![BU of 1k50 by Molmil](/molmil-images/mine/1k50) | A V49A Mutation Induces 3D Domain Swapping in the B1 Domain of Protein L from Peptostreptococcus magnus | Descriptor: | Protein L | Authors: | O'Neill, J.W, Kim, D.E, Johnsen, K, Baker, D, Zhang, K.Y.J. | Deposit date: | 2001-10-09 | Release date: | 2001-12-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Single-site mutations induce 3D domain swapping in the B1 domain of protein L from Peptostreptococcus magnus. Structure, 9, 2001
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