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PDB: 41042 件
8QDC
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Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3642 (compound 1 in publication)
分子名称: (phenylmethyl) ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[[iminomethyl-(phenylmethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M.
登録日2023-08-28
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Development of an active-site titrant for SARS-CoV-2 main protease as an indispensable tool for evaluating enzyme kinetics.
Acta Pharm Sin B, 14, 2024
6PQ9
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Crystal Structure of TLA-1 S70G extended spectrum Beta-lactamase
分子名称: ACETATE ION, ASPARTIC ACID, Beta-lactamase, ...
著者Rudino-Pinera, E, Cifuentes-Castro, V.H, Rodriguez-Alamazan, C.
登録日2019-07-08
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.191 Å)
主引用文献The crystal structure of ESBL TLA-1 in complex with clavulanic acid reveals a second acylation site.
Biochem.Biophys.Res.Commun., 522, 2020
2HW5
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The crystal structure of human enoyl-coenzyme A (CoA) hydratase short chain 1, ECHS1
分子名称: CROTONYL COENZYME A, Enoyl-CoA hydratase, MAGNESIUM ION
著者Turnbull, A.P, Salah, E, Niesen, F, Debreczeni, J, Ugochukwu, E, Pike, A.C.W, Kavanagh, K, Gileadi, O, Gorrec, F, Umeano, C, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2006-07-31
公開日2006-08-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The crystal structure of human enoyl-coenzyme A (CoA) hydratase short chain 1, ECHS1
To be Published
6P7C
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D104A/S128A S. typhimurium siroheme synthase
分子名称: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase
著者Pennington, J.M, Stroupe, M.E.
登録日2019-06-05
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
6PR4
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D262N/S128A S. typhimurium siroheme synthase
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase
著者Pennington, J.M, Stroupe, M.E.
登録日2019-07-10
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
6ELZ
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BU of 6elz by Molmil
State E (TAP-Flag-Ytm1 E80A) - Visualizing the assembly pathway of nucleolar pre-60S ribosomes
分子名称: 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 25S ribosomal RNA, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, ...
著者Kater, L, Cheng, J, Barrio-Garcia, C, Hurt, E, Beckmann, R.
登録日2017-09-30
公開日2017-12-27
最終更新日2023-02-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Visualizing the Assembly Pathway of Nucleolar Pre-60S Ribosomes.
Cell, 171, 2017
5B34
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Serial Femtosecond Crystallography (SFX) of Ground State Bacteriorhodopsin Crystallized from Bicelles in Complex with Iodine-labeled Detergent HAD13a Determined Using 7-keV X-ray Free Electron Laser (XFEL) at SACLA
分子名称: 2,4,6-tris(iodanyl)-5-(octanoylamino)benzene-1,3-dicarboxylic acid, Bacteriorhodopsin, DECANE, ...
著者Mizohata, E, Nakane, T.
登録日2016-02-10
公開日2016-11-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Membrane protein structure determination by SAD, SIR, or SIRAS phasing in serial femtosecond crystallography using an iododetergent
Proc.Natl.Acad.Sci.USA, 113, 2016
6EOK
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Crystal structure of E. coli L-asparaginase II
分子名称: L-asparaginase 2, ZINC ION
著者Cerofolini, L, Giuntini, S, Carlon, A, Ravera, E, Calderone, V, Fragai, M, Parigi, G, Luchinat, C.
登録日2017-10-09
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Characterization of PEGylated Asparaginase: New Opportunities from NMR Analysis of Large PEGylated Therapeutics.
Chemistry, 25, 2019
8QRD
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OleP in complex with testosterone in high salt crystallization conditions
分子名称: Cytochrome P-450, FORMIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Fata, F, Costanzo, A, Freda, I, Gugole, E, Bulfaro, G, Barbizzi, L, Di Renzo, M, Savino, C, Vallone, B, Montemiglio, L.C.
登録日2023-10-06
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献OleP in complex with testosterone in high salt crystallization conditions
To Be Published
8GSX
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X-ray structure of Clostridium perfringens pili protein B collagen-binding domains
分子名称: ACETATE ION, pili protein
著者Kamitori, S, Yamada, M, Tamai, E.
登録日2022-09-07
公開日2023-06-07
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Structural and biochemical characterization of Clostridium perfringens pili protein B collagen-binding domains.
Febs Lett., 597, 2023
6OZ1
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Crystal structure of the adenylation (A) domain of the carboxylate reductase (CAR) GR01_22995 from Mycobacterium chelonae
分子名称: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
著者Stogios, P.J, Evdokimova, E, Di Leo, R, Fedorchuk, T, Khusnutdinova, A, Yakunin, A.F, Savchenko, A.
登録日2019-05-15
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献One-Pot Biocatalytic Transformation of Adipic Acid to 6-Aminocaproic Acid and 1,6-Hexamethylenediamine Using Carboxylic Acid Reductases and Transaminases.
J.Am.Chem.Soc., 142, 2020
7GZ7
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Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000131-001
分子名称: 3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1H-indole-2-carboxylic acid, Non-structural protein 3
著者Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
登録日2024-01-23
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.293 Å)
主引用文献Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
1IR2
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Crystal Structure of Activated Ribulose-1,5-bisphosphate Carboxylase/oxygenase (Rubisco) from Green alga, Chlamydomonas reinhardtii Complexed with 2-Carboxyarabinitol-1,5-bisphosphate (2-CABP)
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, GLYCEROL, Large subunit of Rubisco, ...
著者Mizohata, E, Matsumura, H, Okano, Y, Kumei, M, Takuma, H, Onodera, J, Kato, K, Shibata, N, Inoue, T, Yokota, A, Kai, Y.
登録日2001-09-03
公開日2002-03-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal structure of activated ribulose-1,5-bisphosphate carboxylase/oxygenase from green alga Chlamydomonas reinhardtii complexed with 2-carboxyarabinitol-1,5-bisphosphate.
J.Mol.Biol., 316, 2002
4EG4
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Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1289
分子名称: 2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2012-03-30
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.151 Å)
主引用文献Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
7H1H
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BU of 7h1h by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1201620232
分子名称: 5-methoxy-1,3-benzothiazol-2-amine, DIMETHYL SULFOXIDE, Serine protease NS3, ...
著者Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
登録日2024-04-03
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.684 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H1U
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z212053854
分子名称: 1,2,3,4-tetrahydro-1,5-naphthyridine, DIMETHYL SULFOXIDE, Serine protease NS3, ...
著者Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
登録日2024-04-03
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H1X
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z53833304
分子名称: 1-ethyl-1H-benzimidazole, DIMETHYL SULFOXIDE, Serine protease NS3, ...
著者Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
登録日2024-04-03
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.398 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H29
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1269184613
分子名称: 1,3-benzothiazole-6-sulfonamide, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
登録日2024-04-03
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H1O
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1962142017
分子名称: 1,3-oxazol-4-ylmethanamine, DIMETHYL SULFOXIDE, Serine protease NS3, ...
著者Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
登録日2024-04-03
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H2Q
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z270760338
分子名称: DIMETHYL SULFOXIDE, N,N-dimethylpiperazine-1-carboxamide, Serine protease NS3, ...
著者Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
登録日2024-04-03
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.526 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H1Z
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1198149728
分子名称: 4-ethenyl-1H-imidazole, DIMETHYL SULFOXIDE, Serine protease NS3, ...
著者Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
登録日2024-04-03
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H1N
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with POB0120
分子名称: (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one, (2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one, DIMETHYL SULFOXIDE, ...
著者Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
登録日2024-04-03
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.407 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
4EHQ
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Crystal Structure of Calmodulin Binding Domain of Orai1 in Complex with Ca2+/Calmodulin Displays a Unique Binding Mode
分子名称: CALCIUM ION, Calcium release-activated calcium channel protein 1, Calmodulin, ...
著者Liu, Y, Zheng, X, Mueller, G.A, Sobhany, M, DeRose, E.F, Zhang, Y, London, R.E, Birnbaumer, L.
登録日2012-04-03
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9005 Å)
主引用文献Crystal structure of calmodulin binding domain of orai1 in complex with ca2+*calmodulin displays a unique binding mode.
J.Biol.Chem., 287, 2012
6RP9
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Crystal structure of the T-cell receptor NYE_S3 bound to HLA A2*01-SLLMWITQV
分子名称: Beta-2-microglobulin, Cancer/testis antigen 1, HLA class I histocompatibility antigen, ...
著者Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S.
登録日2019-05-14
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex.
J Immunol., 204, 2020
7H2D
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1397964787
分子名称: 2-cyclopropyl-1~{H}-imidazole-4-carboxamide, DIMETHYL SULFOXIDE, Serine protease NS3, ...
著者Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
登録日2024-04-03
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.566 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published

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