7ENE
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5FNV
| a new complex structure of tubulin with an alpha-beta unsaturated lactone | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Wang, Y, Naismith, J, Zhu, X. | Deposit date: | 2015-11-16 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Pironetin Reacts Covalently with Cysteine-316 of Alpha-Tubulin to Destabilize Microtubule. Nat.Commun., 7, 2016
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7ZX2
| Tubulin-Pelophen B complex | Descriptor: | (3R,4S,7S,9S,11S)-3,4,11-trihydroxy-7-((R,Z)-4-(hydroxymethyl)hex-2-en-2-yl)-9-methoxy-12,12-dimethyl-6-oxa-1(1,3)-benzenacyclododecaphan-5-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Estevez-Gallego, J, Diaz, J.F, Van der Eycken, J, Oliva, M.A. | Deposit date: | 2022-05-20 | Release date: | 2022-11-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Chemical modulation of microtubule structure through the laulimalide/peloruside site. Structure, 31, 2023
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1AA6
| REDUCED FORM OF FORMATE DEHYDROGENASE H FROM E. COLI | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, FORMATE DEHYDROGENASE H, IRON/SULFUR CLUSTER, ... | Authors: | Sun, P.D, Boyington, J.C. | Deposit date: | 1997-01-23 | Release date: | 1997-08-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of formate dehydrogenase H: catalysis involving Mo, molybdopterin, selenocysteine, and an Fe4S4 cluster. Science, 275, 1997
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8A0L
| Tubulin-CW1-complex | Descriptor: | (3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Prota, A.E, Diaz, J.F, Steinmetz, M.O, Oliva, M.A. | Deposit date: | 2022-05-28 | Release date: | 2022-12-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9981 Å) | Cite: | Chemical modulation of microtubule structure through the laulimalide/peloruside site. Structure, 31, 2023
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7FIO
| LecA from Pseudomonas aeruginosa in complex with a synthetic monovalent galactosidic inhibitor | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, N-[2-[4-[(2S)-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide, ... | Authors: | Kuhaudomlarp, S, Siebs, E, da Silva Figueiredo Celestino Gomes, P, Fortin, C, Rognan, D, Rademacher, C, Imberty, A, Titz, A. | Deposit date: | 2021-07-31 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Targeting the Central Pocket of the Pseudomonas aeruginosa Lectin LecA. Chembiochem, 23, 2022
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2VRX
| Structure of Aurora B kinase in complex with ZM447439 | Descriptor: | INNER CENTROMERE PROTEIN A, N-(4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide, SERINE/THREONINE-PROTEIN KINASE 12-A | Authors: | Girdler, F, Sessa, F, Patercoli, S, Villa, F, Ridgway, E, Musacchio, A, Taylor, S.S. | Deposit date: | 2008-04-16 | Release date: | 2008-07-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Molecular Basis of Drug Resistance in Aurora Kinases. Chem.Biol., 15, 2008
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6N2J
| Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C | Descriptor: | 1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Vigers, G.P. | Deposit date: | 2018-11-13 | Release date: | 2018-12-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Tetrahydropyridopyrimidines as Irreversible Covalent Inhibitors of KRAS-G12C with In Vivo Activity. ACS Med Chem Lett, 9, 2018
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2V8Q
| Crystal structure of the regulatory fragment of mammalian AMPK in complexes with AMP | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | Authors: | Xiao, B, Heath, R, Saiu, P, Leiper, F.C, Leone, P, Jing, C, Walker, P.A, Haire, L, Eccleston, J.F, Davis, C.T, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2007-08-13 | Release date: | 2007-09-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for AMP Binding to Mammalian AMP-Activated Protein Kinase Nature, 449, 2007
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7F4B
| The crystal structure of the immature apo-enzyme of homoserine dehydrogenase from the hyperthermophilic archaeon Sulfurisphaera tokodaii. | Descriptor: | MAGNESIUM ION, homoserine dehydrogenase | Authors: | Kurihara, E, Kubota, T, Watanabe, K, Ogata, K, Kaneko, R, Oshima, T, Yoshimune, K, Goto, M. | Deposit date: | 2021-06-18 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Conformational changes in the catalytic region are responsible for heat-induced activation of hyperthermophilic homoserine dehydrogenase. Commun Biol, 5, 2022
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6VQN
| Co-crystal structure of human PD-L1 complexed with Compound A | Descriptor: | N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide), Programmed cell death 1 ligand 1 | Authors: | White, A, Lakshminarasimhan, D, Leo, C, Suto, R.K. | Deposit date: | 2020-02-05 | Release date: | 2021-01-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Checkpoint inhibition through small molecule-induced internalization of programmed death-ligand 1. Nat Commun, 12, 2021
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2V92
| Crystal structure of the regulatory fragment of mammalian AMPK in complexes with ATP-AMP | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | Authors: | Xiao, B, Heath, R, Saiu, P, Leiper, F.C, Leone, P, Jing, C, Walker, P.A, Haire, L, Eccleston, J.F, Davis, C.T, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2007-08-20 | Release date: | 2007-09-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for AMP Binding to Mammalian AMP-Activated Protein Kinase Nature, 449, 2007
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7F4C
| The crystal structure of the immature holo-enzyme of homoserine dehydrogenase complexed with NADP and 1,4-butandiol from the hyperthermophilic archaeon Sulfurisphaera tokodaii. | Descriptor: | 1,4-BUTANEDIOL, Homoserine dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ogata, K, Kaneko, R, Kubota, T, Watanabe, K, Kurihara, E, Oshima, T, Yoshimune, K, Goto, M. | Deposit date: | 2021-06-18 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational changes in the catalytic region are responsible for heat-induced activation of hyperthermophilic homoserine dehydrogenase. Commun Biol, 5, 2022
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4MXI
| ClpP Ser98dhA | Descriptor: | ATP-dependent Clp protease proteolytic subunit | Authors: | Gersch, M, Kolb, R, Alte, F, Groll, M, Sieber, S.A. | Deposit date: | 2013-09-26 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Disruption of Oligomerization and Dehydroalanine Formation as Mechanisms for ClpP Protease Inhibition. J.Am.Chem.Soc., 136, 2014
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2WJ5
| Rat alpha crystallin domain | Descriptor: | HEAT SHOCK PROTEIN BETA-6 | Authors: | Naylor, C.E, Bagneris, C, Bateman, O.A, Cronin, N, Keep, N.H, Slingsby, C. | Deposit date: | 2009-05-22 | Release date: | 2009-08-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Crystal Structures of Alpha-Crystallin Domain Dimers of Alphab-Crystallin and Hsp20. J.Mol.Biol., 392, 2009
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2V3F
| acid-beta-glucosidase produced in carrot | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLUCOSYLCERAMIDASE, SULFATE ION, ... | Authors: | Shaaltiel, Y, Bartfeld, D, Hashmueli, S, Baum, G, Brill-Almon, E, Galili, G, Dym, O, Boldin-Adamsky, S.A, Silman, I, Sussman, J.L, Futerman, A.H, Aviezer, D, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2007-06-17 | Release date: | 2008-04-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Production of Glucocerebrosidase with Terminal Mannose Glycans for Enzyme Replacement Therapy of Gaucher'S Disease Using a Plant Cell System. Plant Biotechnol.J., 5, 2007
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5EN2
| Molecular basis for antibody-mediated neutralization of New World hemorrhagic fever mammarenaviruses | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Mahmutovic, S, Clark, L, Levis, S, Briggiler, A, Enria, D, Harrison, S.C, Abraham, J. | Deposit date: | 2015-11-09 | Release date: | 2015-12-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.821 Å) | Cite: | Molecular Basis for Antibody-Mediated Neutralization of New World Hemorrhagic Fever Mammarenaviruses. Cell Host Microbe, 18, 2015
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2V9J
| Crystal structure of the regulatory fragment of mammalian AMPK in complexes with Mg.ATP-AMP | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | Authors: | Xiao, B, Heath, R, Saiu, P, Leiper, F.C, Leone, P, Jing, C, Walker, P.A, Haire, L, Eccleston, J.F, Davis, C.T, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2007-08-23 | Release date: | 2007-09-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural Basis for AMP Binding to Mammalian AMP-Activated Protein Kinase Nature, 449, 2007
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7Z39
| Structure of Belumosudil bound to CK2alpha | Descriptor: | 2-[3-[4-(1~{H}-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-~{N}-propan-2-yl-ethanamide, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Brear, P, Hyvonen, M. | Deposit date: | 2022-03-01 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of the Rho-associated coiled-coil kinase 2 inhibitor belumosudil bound to CK2 alpha. Acta Crystallogr.,Sect.F, 78, 2022
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5G3P
| Bacillus cereus formamidase (BceAmiF) acetylated at the active site. | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gavira, J.A, Conejero-Muriel, M, Martinez-Rodriguez, S. | Deposit date: | 2016-04-29 | Release date: | 2017-04-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A novel cysteine carbamoyl-switch is responsible for the inhibition of formamidase, a nitrilase superfamily member. Arch.Biochem.Biophys., 662, 2019
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7ENO
| Mutant strain M3 of foot-and-mouth disease virus type O | Descriptor: | VP1 of O type FMDV capsid, VP2 of O type FMDV capsid, VP3 of O type FMDV capsid, ... | Authors: | Dong, H, Lu, Y. | Deposit date: | 2021-04-18 | Release date: | 2021-06-02 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | A Heat-Induced Mutation on VP1 of Foot-and-Mouth Disease Virus Serotype O Enhanced Capsid Stability and Immunogenicity. J.Virol., 95, 2021
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7ENP
| wild type of O type Foot-and-mouth disease virus | Descriptor: | VP1 of O type FMDV capsid protein, VP2 of O type FMDV capsid protein, VP3 of O type FMDV capsid protein, ... | Authors: | Dong, H, Lu, Y. | Deposit date: | 2021-04-18 | Release date: | 2021-06-02 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | A Heat-Induced Mutation on VP1 of Foot-and-Mouth Disease Virus Serotype O Enhanced Capsid Stability and Immunogenicity. J.Virol., 95, 2021
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7DHP
| Crystal structure of MazF from Deinococcus radiodurans | Descriptor: | Endoribonuclease MazF, SULFATE ION | Authors: | Zhao, Y, Dai, J. | Deposit date: | 2020-11-17 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | MazEF Toxin-Antitoxin System-Mediated DNA Damage Stress Response in Deinococcus radiodurans. Front Genet, 12, 2021
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6VX4
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5GSS
| HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1 | Authors: | Oakley, A, Parker, M. | Deposit date: | 1997-08-11 | Release date: | 1998-09-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution. J.Mol.Biol., 274, 1997
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