2Q85
 
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2XCO
 | | The 3.1A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase | | 分子名称: | CALCIUM ION, DNA GYRASE SUBUNIT B, DNA GYRASE SUBUNIT A | | 著者 | Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | | 登録日 | 2010-04-24 | | 公開日 | 2010-08-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
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5BTN
 | | Crystal structure of a topoisomerase II complex | | 分子名称: | 1-cyclopropyl-6-fluoro-8-methyl-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ... | | 著者 | Blower, T.R, Williamson, B.H, Kerns, R.J, Berger, J.M. | | 登録日 | 2015-06-03 | | 公開日 | 2016-03-02 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure and stability of gyrase-fluoroquinolone cleaved complexes from Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5BTA
 | | Crystal structure of a topoisomerase II complex | | 分子名称: | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ... | | 著者 | Blower, T.R, Williamson, B.H, Kerns, R.J, Berger, J.M. | | 登録日 | 2015-06-02 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Crystal structure and stability of gyrase-fluoroquinolone cleaved complexes from Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 113, 2016
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2NUN
 | | The structure of the type III effector AvrB complexed with ADP | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Avirulence B protein | | 著者 | Singer, A.U, Desveaux, D, Wu, A.J, McNulty, B, Dangl, J.L, Sondek, J. | | 登録日 | 2006-11-09 | | 公開日 | 2007-05-22 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Type III Effector Activation via Nucleotide Binding, Phosphorylation, and Host Target Interaction.
Plos Pathog., 3, 2007
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5VP0
 | | Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders | | 分子名称: | MAGNESIUM ION, N-{(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, ZINC ION, ... | | 著者 | Hoffman, I.D. | | 登録日 | 2017-05-03 | | 公開日 | 2017-08-23 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of Clinical Candidate N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915): A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders.
J. Med. Chem., 60, 2017
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2K2G
 | | Solution structure of the wild-type catalytic domain of human matrix metalloproteinase 12 (MMP-12) in complex with a tight-binding inhibitor | | 分子名称: | Macrophage metalloelastase, N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine, ZINC ION | | 著者 | Markus, M.A, Dwyer, B, Wolfrom, S, Li, J, Li, W, Malakian, K, Wilhelm, J, Tsao, D.H.H. | | 登録日 | 2008-04-01 | | 公開日 | 2008-05-20 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of wild-type human matrix metalloproteinase 12 (MMP-12) in complex with a tight-binding inhibitor.
J.Biomol.Nmr, 41, 2008
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4J69
 | | Crystal structure of Ribonuclease A soaked in 50% S,R,S-bisfuranol: One of twelve in MSCS set | | 分子名称: | (3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol, Ribonuclease pancreatic, SULFATE ION | | 著者 | Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C. | | 登録日 | 2013-02-11 | | 公開日 | 2014-01-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.892 Å) | | 主引用文献 | DRoP: A program for analysis of water structure on protein surfaces
to be published
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2YK4
 | | Structure of Neisseria LOS-specific sialyltransferase (NST). | | 分子名称: | 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX Y}-ETHOXY)-ETHANOL, CMP-N-ACETYLNEURAMINATE-BETA-GALACTOSAMIDE-ALPHA-2,3-SIALYLTRANSFERASE, ... | | 著者 | Lin, L.Y.C, Rakic, B, Chiu, C.P.C, Lameignere, E, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | | 登録日 | 2011-05-25 | | 公開日 | 2011-08-31 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Structure and Mechanism of the Lipooligosaccharide Sialyltransferase from Neisseria Meningitidis
J.Biol.Chem., 286, 2011
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2YK7
 | | Structure of Neisseria LOS-specific sialyltransferase (NST), in complex with CMP-3F-Neu5Ac. | | 分子名称: | 1,2-ETHANEDIOL, CMP-N-ACETYLNEURAMINATE-BETA-GALACTOSAMIDE-ALPHA-2,3-SIALYLTRANSFERASE, CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID, ... | | 著者 | Lin, L.Y.C, Rakic, B, Chiu, C.P.C, Lameignere, E, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | | 登録日 | 2011-05-25 | | 公開日 | 2011-08-31 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Structure and Mechanism of the Lipooligosaccharide Sialyltransferase from Neisseria Meningitidis
J.Biol.Chem., 286, 2011
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4R5N
 | | 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors | | 分子名称: | (4R,4a'S,10a'R)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | | 著者 | Vigers, G.P.A, Smith, D. | | 登録日 | 2014-08-21 | | 公開日 | 2014-12-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors.
J.Med.Chem., 57, 2014
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2YK5
 | | Structure of Neisseria LOS-specific sialyltransferase (NST), in complex with CMP. | | 分子名称: | 1,2-ETHANEDIOL, CMP-N-ACETYLNEURAMINATE-BETA-GALACTOSAMIDE-ALPHA-2,3-SIALYLTRANSFERASE, CYTIDINE-5'-MONOPHOSPHATE, ... | | 著者 | Lin, L.Y.C, Rakic, B, Chiu, C.P.C, Lameignere, E, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | | 登録日 | 2011-05-25 | | 公開日 | 2011-08-31 | | 最終更新日 | 2019-09-25 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Structure and Mechanism of the Lipooligosaccharide Sialyltransferase from Neisseria Meningitidis
J.Biol.Chem., 286, 2011
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2GHG
 | | h-CHK1 complexed with A431994 | | 分子名称: | 5-{5-[(S)-2-AMINO-3-(1H-INDOL-3-YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1-(1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE, Serine/threonine-protein kinase Chk1 | | 著者 | Park, C. | | 登録日 | 2006-03-27 | | 公開日 | 2007-03-27 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Discovery and SAR of oxindole-pyridine-based protein kinase B/Akt inhibitors for treating cancers.
Bioorg.Med.Chem.Lett., 16, 2006
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6W5Y
 | | Inferred receptor binding domain of human endogenous retrovirus envelope EnvP(b)1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, EnvP(b)1 inferred receptor binding domain, ... | | 著者 | McCarthy, K.R. | | 登録日 | 2020-03-14 | | 公開日 | 2020-11-11 | | 最終更新日 | 2021-05-26 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure of the Receptor Binding Domain of EnvP(b)1, an Endogenous Retroviral Envelope Protein Expressed in Human Tissues.
Mbio, 11, 2020
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1SQX
 | | Crystal Structure Analysis of Bovine Bc1 with Stigmatellin A | | 分子名称: | Cytochrome b, Cytochrome c1, heme protein, ... | | 著者 | Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D. | | 登録日 | 2004-03-21 | | 公開日 | 2005-09-06 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex.
J.Mol.Biol., 341, 2004
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9FQJ
 | | E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12) | | 分子名称: | 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | 著者 | Schimpl, M. | | 登録日 | 2024-06-17 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.563 Å) | | 主引用文献 | Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.
J.Med.Chem., 67, 2024
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4FUV
 | | Crystal Structure of Acinetobacter baumannii CarO | | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SULFATE ION, porin protein associated with imipenem resistance | | 著者 | Eren, E, van den Berg, B. | | 登録日 | 2012-06-28 | | 公開日 | 2013-07-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.151 Å) | | 主引用文献 | Outer membrane transport of amino acids and antibiotics by an 8-stranded b-barrel protein
To be Published
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3ICH
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1TXB
 | | SOLUTION NMR STRUCTURE OF TOXIN B, A LONG NEUROTOXIN FROM THE VENOM OF THE KING COBRA, 10 STRUCTURES | | 分子名称: | TOXIN B | | 著者 | Peng, S.-S, Kumar, T.K.S, Jayaraman, G, Chang, C.-C, Yu, C. | | 登録日 | 1996-07-20 | | 公開日 | 1997-10-15 | | 最終更新日 | 2017-11-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of toxin b, a long neurotoxin from the venom of the king cobra (Ophiophagus hannah).
J.Biol.Chem., 272, 1997
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2ZJT
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7KFM
 | | Room temperature oxyferrous Dehaloperoxidase B | | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, Dehaloperoxidase B, OXYGEN MOLECULE, ... | | 著者 | Carey, L.M, Ghiladi, R.A. | | 登録日 | 2020-10-14 | | 公開日 | 2021-10-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
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2X7G
 | | Structure of human serine-arginine-rich protein-specific kinase 2 (SRPK2) bound to purvalanol B | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, PURVALANOL B, ... | | 著者 | Pike, A.C.W, Savitsky, P, Fedorov, O, Krojer, T, Ugochukwu, E, von Delft, F, Gileadi, O, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Knapp, S. | | 登録日 | 2010-02-26 | | 公開日 | 2010-04-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure of Human Serine-Arginine-Rich Protein- Specific Kinase 2 (Srpk2) Bound to Purvalanol B
To be Published
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6HPF
 | | Structure of Inactive E165Q mutant of fungal non-CBM carrying GH26 endo-b-mannanase from Yunnania penicillata in complex with alpha-62-61-di-galactosyl-mannotriose | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CHLORIDE ION, ... | | 著者 | von Freiesleben, P, Moroz, O.V, Blagova, E, Wiemann, M, Spodsberg, N, Agger, J.W, Davies, G.J, Wilson, K.S, Stalbrand, H, Meyer, A.S, Krogh, K.B.R.M. | | 登録日 | 2018-09-20 | | 公開日 | 2019-03-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Crystal structure and substrate interactions of an unusual fungal non-CBM carrying GH26 endo-beta-mannanase from Yunnania penicillata.
Sci Rep, 9, 2019
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1TXA
 | | SOLUTION NMR STRUCTURE OF TOXIN B, A LONG NEUROTOXIN FROM THE VENOM OF THE KING COBRA, MINIMIZED AVERAGE STRUCTURE | | 分子名称: | TOXIN B | | 著者 | Peng, S.-S, Kumar, T.K.S, Jayaraman, G, Chang, C.-C, Yu, C. | | 登録日 | 1996-07-20 | | 公開日 | 1997-10-15 | | 最終更新日 | 2017-11-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of toxin b, a long neurotoxin from the venom of the king cobra (Ophiophagus hannah).
J.Biol.Chem., 272, 1997
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5T6X
 | | HLA-B*57:01 presenting TSTTSVASSW | | 分子名称: | Beta-2-microglobulin, Decapeptide: THR-SER-THR-THR-SER-VAL-ALA-SER-SER-TRP, GLYCEROL, ... | | 著者 | Pymm, P, Rossjohn, J, Vivian, J.P. | | 登録日 | 2016-09-02 | | 公開日 | 2017-03-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.686 Å) | | 主引用文献 | MHC-I peptides get out of the groove and enable a novel mechanism of HIV-1 escape.
Nat. Struct. Mol. Biol., 24, 2017
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