6A94
 
 | | Crystal structure of 5-HT2AR in complex with zotepine | | 分子名称: | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | | 著者 | Kimura, T.K, Asada, H, Inoue, A, Kadji, F.M.N, Im, D, Mori, C, Arakawa, T, Hirata, K, Nomura, Y, Nomura, N, Aoki, J, Iwata, S, Shimamura, T. | | 登録日 | 2018-07-11 | | 公開日 | 2019-02-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structures of the 5-HT2Areceptor in complex with the antipsychotics risperidone and zotepine.
Nat.Struct.Mol.Biol., 26, 2019
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2STT
 | | SOLUTION NMR STRUCTURE OF THE HUMAN ETS1/DNA COMPLEX, 25 STRUCTURES | | 分子名称: | DNA (5'-D(*TP*CP*GP*AP*AP*CP*TP*TP*CP*CP*GP*GP*CP*TP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*CP*CP*GP*GP*AP*AP*GP*TP*TP*CP*GP*A)-3'), ETS1 | | 著者 | Clore, G.M, Werner, M.H, Gronenborn, A.M. | | 登録日 | 1996-08-05 | | 公開日 | 1997-03-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Correction of the NMR structure of the ETS1/DNA complex.
J.Biomol.NMR, 10, 1997
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6AAG
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6QA1
 | | ERK2 mini-fragment binding | | 分子名称: | Mitogen-activated protein kinase 1, SULFATE ION, pyridin-2-amine | | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | 登録日 | 2018-12-18 | | 公開日 | 2019-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6QAT
 | | Crystal structure of ULK2 in complexed with hesperadin | | 分子名称: | N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide, Serine/threonine-protein kinase ULK2 | | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | 登録日 | 2018-12-19 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | | 主引用文献 | Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2).
Biochem.J., 476, 2019
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4KC9
 | | Structure of HHARI, a RING-IBR-RING ubiquitin ligase: autoinhibition of an Ariadne-family E3 and insights into ligation mechanism | | 分子名称: | E3 ubiquitin-protein ligase ARIH1, ZINC ION | | 著者 | Duda, D.M, Olszewski, J.L, Schulman, B.A. | | 登録日 | 2013-04-24 | | 公開日 | 2013-05-29 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (3.603 Å) | | 主引用文献 | Structure of HHARI, a RING-IBR-RING Ubiquitin Ligase: Autoinhibition of an Ariadne-Family E3 and Insights into Ligation Mechanism.
Structure, 21, 2013
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4U6C
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6QD6
 | | Molecular scaffolds expand the nanobody toolkit for cryo-EM applications: crystal structure of Mb-cHopQ-Nb207 | | 分子名称: | CHLORIDE ION, Mb-cHopQ-Nb207,Outer membrane protein,Mb-cHopQ-Nb207,Outer membrane protein,Mb-cHopQ-Nb207 | | 著者 | Uchanski, T, Masiulis, S, Fischer, B, Kalichuk, V, Wohlkonig, A, Zogg, T, Remaut, H, Vranken, W, Aricescu, A.R, Pardon, E, Steyaert, J. | | 登録日 | 2018-12-31 | | 公開日 | 2019-12-18 | | 最終更新日 | 2021-01-13 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM
Nat.Methods, 18, 2021
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6PTP
 | | Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1 | | 分子名称: | HIV-1 Protease, N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide | | 著者 | Kovalevsky, A, Das, A. | | 登録日 | 2019-07-16 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-10-25 | | 実験手法 | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | | 主引用文献 | Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.
Acs Omega, 5, 2020
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3DEN
 | | Structure of E. coli DHDPS mutant Y107W | | 分子名称: | Dihydrodipicolinate synthase, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Pearce, F.G, Gerrard, J.A, Perugini, M.A, Jameson, G.B. | | 登録日 | 2008-06-10 | | 公開日 | 2008-11-25 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Mutating the tight-dimer interface of dihydrodipicolinate synthase disrupts the enzyme quaternary structure: toward a monomeric enzyme
Biochemistry, 47, 2008
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6PTY
 | | Soluble model of human CuA (Tt3Lh) | | 分子名称: | Cytochrome c oxidase subunit 2, DINUCLEAR COPPER ION, GLYCEROL, ... | | 著者 | Giannini, E, Lisa, M.N, Morgada, M.N, Alzari, P.M, Vila, A.J. | | 登録日 | 2019-07-16 | | 公開日 | 2019-11-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Unexpected electron spin density on the axial methionine ligand in CuAsuggests its involvement in electron pathways.
Chem.Commun.(Camb.), 56, 2020
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6PT5
 | | Crystal Structure of Class D Beta-lactamase OXA-48 with Cefoxitin | | 分子名称: | (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, CHLORIDE ION, Class D Carbapenemase OXA-48 | | 著者 | Akhtar, A, Chen, Y. | | 登録日 | 2019-07-14 | | 公開日 | 2020-01-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.304 Å) | | 主引用文献 | Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020
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4KHW
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3D9G
 | | Nitroalkane oxidase: wild type crystallized in a trapped state forming a cyanoadduct with FAD | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Nitroalkane oxidase, ... | | 著者 | Heroux, A, Bozinovski, D.M, Valley, M.P, Fitzpatrick, P.F, Orville, A.M. | | 登録日 | 2008-05-27 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystal structures of intermediates in the nitroalkane oxidase reaction.
Biochemistry, 48, 2009
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6Q87
 | | Structure of Fucosylated D-antimicrobial peptide SB10 in complex with the Fucose-binding lectin PA-IIL at 2.541 Angstrom resolution | | 分子名称: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ... | | 著者 | Baeriswyl, S, Stocker, A, Reymond, J.-L. | | 登録日 | 2018-12-14 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.541 Å) | | 主引用文献 | X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 14, 2019
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6Q94
 | | Crystal structure of human GDP-D-mannose 4,6-dehydratase (S156D) in complex with GDP-Man | | 分子名称: | 1,2-ETHANEDIOL, GDP-mannose 4,6 dehydratase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, ... | | 著者 | Pfeiffer, M, Krojer, T, Johansson, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC) | | 登録日 | 2018-12-17 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase.
Acs Catalysis, 9, 2019
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1RXG
 | | DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) AND 2-OXOGLUTARATE | | 分子名称: | 2-OXOGLUTARIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION, ... | | 著者 | Valegard, K, Terwisscha Van Scheltinga, A.C, Lloyd, M.D, Hara, T, Ramaswamy, S, Perrakis, A, Thompson, A, Lee, H.J, Baldwin, J.E, Shofield, C.J, Hajdu, J, Andersson, I. | | 登録日 | 1998-06-05 | | 公開日 | 1999-06-08 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure of a cephalosporin synthase.
Nature, 394, 1998
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8RU8
 | | A crystal form of a human CDK2-CDK7 chimera | | 分子名称: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 2 | | 著者 | Mukherjee, M, Cleasby, A. | | 登録日 | 2024-01-30 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 32, 2024
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8A3H
 | | Cellobiose-derived imidazole complex of the endoglucanase cel5A from Bacillus agaradhaerens at 0.97 A resolution | | 分子名称: | (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside, ACETATE ION, GLYCEROL, ... | | 著者 | Varrot, A, Schulein, M, Pipelier, M, Vasella, A, Davies, G.J. | | 登録日 | 1999-01-20 | | 公開日 | 2000-01-21 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | | 主引用文献 | Lateral Protonation of a Glycosidase Inhibitor. Structure of the Bacillus agaradhaerens Cel5A in Complex with a Cellobiose-Derived Imidazole at 0.97 A Resolution
J.Am.Chem.Soc., 121, 1999
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821P
 | | THREE-DIMENSIONAL STRUCTURES AND PROPERTIES OF A TRANSFORMING AND A NONTRANSFORMING GLYCINE-12 MUTANT OF P21H-RAS | | 分子名称: | C-H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | 著者 | Scheidig, A.J, Krengel, U, Pai, E.F, Kabsch, W, Wittinghofer, A, Goody, R.S. | | 登録日 | 1993-03-29 | | 公開日 | 1994-01-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Three-dimensional structures and properties of a transforming and a nontransforming glycine-12 mutant of p21H-ras.
Biochemistry, 32, 1993
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3DFR
 | | CRYSTAL STRUCTURES OF ESCHERICHIA COLI AND LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE REFINED AT 1.7 ANGSTROMS RESOLUTION. I. GENERAL FEATURES AND BINDING OF METHOTREXATE | | 分子名称: | DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Filman, D.J, Matthews, D.A, Bolin, J.T, Kraut, J. | | 登録日 | 1982-06-25 | | 公開日 | 1982-10-21 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate.
J.Biol.Chem., 257, 1982
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7ZPP
 | | Cryo-EM structure of the MVV CSC intasome at 4.5A resolution | | 分子名称: | Integrase, vDNA, non-transferred strand, ... | | 著者 | Ballandras-Colas, A, Maskell, D, Pye, V.E, Locke, J, Swuec, S, Kotecha, A, Costa, A, Cherepanov, P. | | 登録日 | 2022-04-28 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | A supramolecular assembly mediates lentiviral DNA integration
Science, 355, 2017
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6Q1P
 | | Glucocerebrosidase in complex with pharmacological chaperone norIMX8 | | 分子名称: | (2S,3S,4S,5R)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Vickers, C, Withers, S.G, Boraston, A.B. | | 登録日 | 2019-08-05 | | 公開日 | 2020-08-19 | | 実験手法 | X-RAY DIFFRACTION (2.796 Å) | | 主引用文献 | Pharmacological chaperones for GCase that switch conformation with pH enhance enzyme levels in Gaucher animal models.
To Be Published
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3MNR
 | | Crystal Structure of Benzamide SNX-1321 bound to Hsp90 | | 分子名称: | 2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide, Heat shock protein HSP 90-alpha | | 著者 | Veal, J.M, Fadden, P, Huang, K.H, Rice, J, Hall, S.E, Haytstead, T.A. | | 登録日 | 2010-04-22 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Application of Chemoproteomics to Drug Discovery: Identification of a Clinical Candidate Targeting Hsp90.
Chem.Biol., 17, 2010
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7AV6
 | | FAST in a domain-swapped dimer form | | 分子名称: | FORMIC ACID, Photoactive yellow protein | | 著者 | Bukhdruker, S, Remeeva, A, Ruchkin, D, Gorbachev, D, Povarova, N, Mineev, K, Goncharuk, S, Baranov, M, Mishin, A, Borshchevskiy, V. | | 登録日 | 2020-11-04 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | NanoFAST: structure-based design of a small fluorogen-activating protein with only 98 amino acids.
Chem Sci, 12, 2021
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