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PDB: 12929 件
7GN6
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-e119ab4f-5 (Mpro-P2358)
分子名称: (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-2-[2-(methylamino)-2-oxoethyl]-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GIN
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-869ac754-1 (Mpro-P0114)
分子名称: (4R)-6,7-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.858 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GNL
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with NIR-WEI-dcc3321b-1 (Mpro-P2757)
分子名称: (4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.681 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GJ4
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDG-MED-5d232de5-1 (Mpro-P0160)
分子名称: (4R)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.128 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
1DUW
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STRUCTURE OF NONAHEME CYTOCHROME C
分子名称: GLYCEROL, HEME C, NONAHEME CYTOCHROME C
著者Umhau, S, Fritz, G, Diederichs, K, Breed, J, Kroneck, P.M, Welte, W.
登録日2000-01-19
公開日2001-03-21
最終更新日2021-03-03
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Three-dimensional structure of the nonaheme cytochrome c from Desulfovibrio desulfuricans Essex in the Fe(III) state at 1.89 A resolution.
Biochemistry, 40, 2001
7X4L
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Crystal structure of Bacteroides thetaiotaomicron glutamate decarboxylase mutant Y303F-PLP complex
分子名称: Glutamate decarboxylase, PYRIDOXAL-5'-PHOSPHATE
著者Liu, S, Guoming, D, Yulu, W, Boting, W, Xin, F.
登録日2022-03-02
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Coordinated regulation of Bacteroides thetaiotaomicron glutamate decarboxylase activity by multiple elements under different pH.
Food Chem, 403, 2023
1D2L
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NMR SOLUTION STRUCTURE OF COMPLEMENT-LIKE REPEAT CR3 FROM THE LOW DENSITY LIPOPROTEIN RECEPTOR-RELATED PROTEIN (LRP). EVIDENCE FOR SPECIFIC BINDING TO THE RECEPTOR BINDING DOMAIN OF HUMAN ALPHA-2 MACROGLOBULIN
分子名称: CALCIUM ION, LIPOPROTEIN RECEPTOR RELATED PROTEIN
著者Dolmer, K, Huang, W, Gettins, P.G.W.
登録日1999-09-24
公開日2000-01-14
最終更新日2022-12-21
実験手法SOLUTION NMR
主引用文献NMR solution structure of complement-like repeat CR3 from the low density lipoprotein receptor-related protein. Evidence for specific binding to the receptor binding domain of human alpha(2)-macroglobulin.
J.Biol.Chem., 275, 2000
1CN1
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CRYSTAL STRUCTURE OF DEMETALLIZED CONCANAVALIN A. THE METAL-BINDING REGION
分子名称: CONCANAVALIN A
著者Shoham, M, Yonath, A, Sussman, J.L, Moult, J, Traub, W, Gilboa(Kalb), A.J.
登録日1981-12-21
公開日1982-03-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of demetallized concanavalin A: the metal-binding region.
J.Mol.Biol., 131, 1979
4FQX
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Crystal structure of HLA-DM bound to HLA-DR1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DM alpha chain, ...
著者Sethi, D.K, Pos, W, Wucherpfennig, K.W.
登録日2012-06-25
公開日2013-01-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献Crystal Structure of the HLA-DM-HLA-DR1 Complex Defines Mechanisms for Rapid Peptide Selection.
Cell(Cambridge,Mass.), 151, 2012
4FLI
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Human MetAP1 with bengamide analog Y16, in Mn form
分子名称: (E,2R,3R,4S,5R)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ...
著者Ye, Q.Z, Xu, W.
登録日2012-06-14
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases.
J.Med.Chem., 55, 2012
1CG9
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COMPLEX RECOGNITION OF THE SUPERTYPIC BW6-DETERMINANT ON HLA-B AND-C MOLECULES BY THE MONOCLONAL ANTIBODY SFR8-B6
分子名称: PROTEIN (BETA-2-MICROGLOBULIN), PROTEIN (EBNA-6 NUCLEAR PROTEIN (EBNA-3C) (EBNA-4B)), PROTEIN (HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
著者Menssen, R, Orth, P, Ziegler, A, Saenger, W.
登録日1999-03-25
公開日2003-11-18
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Complex Recognition of the Supertypic Bw6-Determinant on HLA-B and-C Molecules by the Monoclonal Antibody SFR8-B6
To be Published
1CYL
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BU of 1cyl by Molmil
ASPECTS OF RECEPTOR BINDING AND SIGNALLING OF INTERLEUKIN-4 INVESTIGATED BY SITE-DIRECTED MUTAGENESIS AND NMR SPECTROSCOPY
分子名称: INTERLEUKIN-4
著者Mueller, T, Sebald, W, Oschkinat, H.
登録日1994-02-21
公開日1994-09-30
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Aspects of receptor binding and signalling of interleukin-4 investigated by site-directed mutagenesis and NMR spectroscopy.
J.Mol.Biol., 237, 1994
4FLJ
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Human MetAP1 with bengamide analog Y08, in Mn form
分子名称: (E,2R,3R,4S,5R)-N-[[(3S)-1-cyclopropylcarbonylpiperidin-3-yl]methyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ...
著者Ye, Q.Z, Xu, W.
登録日2012-06-14
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases.
J.Med.Chem., 55, 2012
1E6Y
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Methyl-coenzyme M reductase from Methanosarcina barkeri
分子名称: 1-THIOETHANESULFONIC ACID, Coenzyme B, FACTOR 430, ...
著者Grabarse, W, Ermler, U.
登録日2000-08-23
公開日2000-10-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Comparison of Three Methyl-Coenzyme M Reductases from Phylogenetically Distant Organisms: Unusual Amino Acid Modification, Conservation and Adaptation
J.Mol.Biol., 303, 2000
4FQA
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Crystal structure of toxic effector Tse1
分子名称: toxic effector Tse1
著者Li, L, Zhang, W, Wang, T.
登録日2012-06-25
公開日2013-06-26
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insight on toxic effector Tse1
To be Published
6CU8
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Alpha Synuclein fibril formed by full length protein - Twister Polymorph
分子名称: Alpha-synuclein
著者Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L.
登録日2018-03-23
公開日2018-09-12
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel.
Nat Commun, 9, 2018
4EWI
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Crystal structure of the NLRP4 Pyrin domain
分子名称: CHLORIDE ION, NACHT, LRR and PYD domains-containing protein 4, ...
著者Eibl, C, Hessenberger, M, Puehringer, S, Page, R, Diederichs, K, Peti, W.
登録日2012-04-27
公開日2012-09-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural and Functional Analysis of the NLRP4 Pyrin Domain.
Biochemistry, 51, 2012
1E4X
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crossreactive binding of a circularized peptide to an anti-TGFalpha antibody Fab-fragment
分子名称: CYCLIC PEPTIDE, TAB2
著者Hahn, M, Winkler, D, Misselwitz, R, Wessner, H, Welfle, K, Zahn, G, Schneider-Mergener, J, Hoehne, W.
登録日2000-07-12
公開日2001-07-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cross-Reactive Binding of Cyclic Peptides to an Anti-Tgf Alpha Antibody Fab Fragment: An X-Ray Structural and Thermodynamic Analysis
J.Mol.Biol., 314, 2001
4E4G
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Crystal structure of putative Methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021
分子名称: Methylmalonate-semialdehyde dehydrogenase
著者Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-03-12
公開日2012-03-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of putative Methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021
To be Published
4E6M
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Crystal structure of Putative dehydratase protein from Salmonella enterica subsp. enterica serovar Typhimurium (Salmonella typhimurium)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, ...
著者Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-03-15
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Putative dehydratase protein from Salmonella enterica subsp. enterica serovar Typhimurium (Salmonella typhimurium)
To be Published
4EA3
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Structure of the N/OFQ Opioid Receptor in Complex with a Peptide Mimetic
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-benzyl-N-[3-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-D-prolinamide, ...
著者Thompson, A.A, Liu, W, Chun, E, Katritch, V, Wu, H, Vardy, E, Huang, X.P, Trapella, C, Guerrini, R, Calo, G, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR)
登録日2012-03-22
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.013 Å)
主引用文献Structure of the nociceptin/orphanin FQ receptor in complex with a peptide mimetic.
Nature, 485, 2012
6BTH
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Crystal structure of human cellular retinol binding protein 2 (CRBP2) in complex with 2-arachidonoylglycerol (2-AG)
分子名称: 1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, DI(HYDROXYETHYL)ETHER, Retinol-binding protein 2
著者Silvaroli, J.A, Blaner, W.S, Lodowski, D.T, Golczak, M.
登録日2017-12-06
公開日2018-12-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Retinol-binding protein 2 (RBP2) binds monoacylglycerols and modulates gut endocrine signaling and body weight.
Sci Adv, 6, 2020
4ECQ
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Human DNA polymerase eta- DNA ternary complex: AT crystal at pH6.8(K+ MES) with 1 Ca2+ ion
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*TP*A)-3'), ...
著者Nakamura, T, Zhao, Y, Yang, W.
登録日2012-03-26
公開日2012-07-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Watching DNA polymerase eta make a phosphodiester bond
Nature, 487, 2012
4ECW
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Human DNA polymerase eta - DNA ternary complex: Reaction in the AT crystal at pH 7.0 for 250 sec
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ...
著者Nakamura, T, Zhao, Y, Yang, W.
登録日2012-03-26
公開日2012-07-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Watching DNA polymerase eta make a phosphodiester bond
Nature, 487, 2012
4ED1
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Human DNA polymerase eta - DNA ternary complex: AT crystal at pH 7.0 (Na+ MES) with 1 Ca2+ ion
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
著者Nakamura, T, Zhao, Y, Yang, W.
登録日2012-03-26
公開日2012-07-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.806 Å)
主引用文献Watching DNA polymerase eta make a phosphodiester bond
Nature, 487, 2012

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件を2024-08-07に公開中

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