4V0G
| JAK3 in complex with a covalent EGFR inhibitor | Descriptor: | N-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrazin-2-yl}-1H-benzimidazol-1-yl)phenyl]propanamide, TYROSINE-PROTEIN KINASE JAK3 | Authors: | Debreczeni, J.E, Hennessy, E.J, Chuaquini, C, Ashton, S, Coclough, N, Cross, D.A.E, Eberlein, C, Gingipalli, L, Klinowska, T.C.M, Orme, J.P, Sha, L, Wu, X. | Deposit date: | 2014-09-16 | Release date: | 2016-01-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Utilisation of Structure Based Design to Identify Novel, Irreversible Inhibitors of the Epidermal Growth Factor Receptor (Egfr) Harboring the Gatekeeper T790M Mutation To be Published
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1FHZ
| PSORALEN CROSS-LINKED D(CCGGTACCGG) FORMS HOLLIDAY JUNCTION | Descriptor: | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN, DNA (5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3') | Authors: | Eichman, B.F, Mooers, B.H.M, Alberti, M, Hearst, J.E, Ho, P.S. | Deposit date: | 2000-08-02 | Release date: | 2001-04-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structures of psoralen cross-linked DNAs: drug-dependent formation of Holliday junctions. J.Mol.Biol., 308, 2001
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1FHY
| PSORALEN CROSS-LINKED D(CCGCTAGCGG) FORMS HOLLIDAY JUNCTION | Descriptor: | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN, CALCIUM ION, DNA (5'-D(*CP*CP*GP*CP*TP*AP*GP*CP*GP*G)-3') | Authors: | Eichman, B.F, Mooers, B.H.M, Alberti, M, Hearst, J.E, Ho, P.S. | Deposit date: | 2000-08-02 | Release date: | 2001-04-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structures of psoralen cross-linked DNAs: drug-dependent formation of Holliday junctions. J.Mol.Biol., 308, 2001
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1W0J
| Beryllium fluoride inhibited bovine F1-ATPase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE ALPHA CHAIN HEART ISOFORM, MITOCHONDRIAL PRECURSOR, ... | Authors: | Kagawa, R, Montgomery, M.G, Braig, K, Walker, J.E, Leslie, A.G.W. | Deposit date: | 2004-06-08 | Release date: | 2004-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Structure of Bovine F1-ATPase Inhibited by Adp and Beryllium Fluoride Embo J., 23, 2004
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1M3V
| FLIN4: Fusion of the LIM binding domain of Ldb1 and the N-terminal LIM domain of LMO4 | Descriptor: | ZINC ION, fusion of the LIM interacting domain of ldb1 and the N-terminal LIM domain of LMO4 | Authors: | Deane, J.E, Mackay, J.P, Kwan, A.H.Y, Sum, E.Y, Visvader, J.E, Matthews, J.M. | Deposit date: | 2002-06-30 | Release date: | 2003-05-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis for the recognition of ldb1 by the N-terminal LIM domains of LMO2 and LMO4 EMBO J., 22, 2003
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5OMS
| Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with guaethol. | Descriptor: | 2-ethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2017-08-01 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nat Commun, 9, 2018
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5WHV
| Crystal structure of ArtB | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ArtB protein, CALCIUM ION, ... | Authors: | Gao, X, Galan, J.E. | Deposit date: | 2017-07-18 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Evolution of host adaptation in the Salmonella typhoid toxin. Nat Microbiol, 2, 2017
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9AX6
| Tricomplex of RMC-6236, KRAS G12D, and CypA | Descriptor: | (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide, GTPase KRas, MAGNESIUM ION, ... | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | Deposit date: | 2024-03-05 | Release date: | 2024-04-17 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers. Cancer Discov, 14, 2024
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5OMR
| Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with vanillin. | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, GcoA, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2017-08-01 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nat Commun, 9, 2018
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4F8D
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4FN3
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4FBI
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8CDQ
| Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002 and Mg.ATP-gamma-S | Descriptor: | 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine, GLYCEROL, ... | Authors: | Moussaoui, D, Robblee, J.P, Robert-Paganin, J, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Schaletzky, J, Wehri, E, Mueller-Dieckmann, C, Baum, J, Trybus, K.M, Houdusse, A. | Deposit date: | 2023-01-31 | Release date: | 2023-06-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design. Nat Commun, 14, 2023
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8CRC
| Structure of human Plk1 PBD in complex with Allopole-A | Descriptor: | 7-chloro-4-(cyclopropylmethyl)-1-thioxo-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one, GLYCEROL, Serine/threonine-protein kinase PLK1 | Authors: | Kirsch, K, Park, J.E, Lee, K.S. | Deposit date: | 2023-03-08 | Release date: | 2023-08-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Specific inhibition of an anticancer target, polo-like kinase 1, by allosterically dismantling its mechanism of substrate recognition. Proc.Natl.Acad.Sci.USA, 120, 2023
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1VHR
| HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE VHR, SULFATE ION | Authors: | Yuvaniyama, J, Denu, J.M, Dixon, J.E, Saper, M.A. | Deposit date: | 1996-02-20 | Release date: | 1996-06-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the dual specificity protein phosphatase VHR. Science, 272, 1996
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4WCX
| Crystal structure of HydG: A maturase of the [FeFe]-hydrogenase | Descriptor: | ALANINE, Biotin and thiamin synthesis associated, FE (III) ION, ... | Authors: | Dinis, P.C, Harmer, J.E, Driesener, R.C, Roach, P.L. | Deposit date: | 2014-09-05 | Release date: | 2015-02-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | X-ray crystallographic and EPR spectroscopic analysis of HydG, a maturase in [FeFe]-hydrogenase H-cluster assembly. Proc.Natl.Acad.Sci.USA, 112, 2015
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4UXH
| Leishmania major Thymidine Kinase in complex with AP5dT | Descriptor: | P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, THYMIDINE KINASE, ZINC ION | Authors: | Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S. | Deposit date: | 2014-08-22 | Release date: | 2015-05-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major. Plos Negl Trop Dis, 9, 2015
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7ZDQ
| Cryo-EM structure of Human ACE2 bound to a high-affinity SARS CoV-2 mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1 | Authors: | Bate, N, Savva, C.G, Moody, P.C.E, Brown, E.A, Schwabe, W.R, Brindle, N.P.J, Ball, J.K, Sale, J.E. | Deposit date: | 2022-03-29 | Release date: | 2022-05-18 | Last modified: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | In vitro evolution predicts emerging SARS-CoV-2 mutations with high affinity for ACE2 and cross-species binding. Plos Pathog., 18, 2022
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8OXY
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8OXW
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8OXV
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8OXX
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2FTE
| Bacteriophage HK97 Expansion Intermediate IV | Descriptor: | major capsid protein | Authors: | Gan, L, Speir, J.A, Conway, J.F, Lander, G, Cheng, N, Firek, B.A, Hendrix, R.W, Duda, R.L, Liljas, L, Johnson, J.E. | Deposit date: | 2006-01-24 | Release date: | 2006-02-07 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY | Cite: | Capsid Conformational Sampling in HK97 Maturation Visualized by X-Ray Crystallography and Cryo-EM. Structure, 14, 2006
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8VSH
| Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S variant with trans heme D | Descriptor: | Group 1 truncated hemoglobin, {3-[(2R,5'R)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato}iron | Authors: | Lecomte, J.T.J, Martinez, J.E, Schlessman, J.L, Schultz, T.D, Siegler, M.A. | Deposit date: | 2024-01-24 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Heme D formation in a Shewanella benthica truncated hemoglobin To Be Published
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4XNN
| Crystal Structure of a GH7 Family Cellobiohydrolase from Daphnia pulex | Descriptor: | Cellobiohydrolase CHBI, GLYCEROL | Authors: | Ebrahim, A, Hobdey, S.E, Podkaminer, K, Taylor II, L.E, Beckham, G.T, Decker, S.R, Himmel, M.E, Cragg, S.M, McGeehan, J.E. | Deposit date: | 2015-01-15 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of a GH7 Family Cellobiohydrolase from Daphnia pulex To Be Published
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