7GZM
 
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008324-001 | | 分子名称: | N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-valine, 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 (1.16 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
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1O91
 | | Crystal Structure of a Collagen VIII NC1 Domain Trimer | | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, COLLAGEN ALPHA 1(VIII) CHAIN, SULFATE ION | | 著者 | Kvansakul, M, Bogin, O, Hohenester, E, Yayon, A. | | 登録日 | 2002-12-10 | | 公開日 | 2003-11-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structure of the Collagen Alpha1(Viii) Nc1 Trimer.
Matrix Biol., 22, 2003
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7H0F
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011207-001 | | 分子名称: | N-cyclopropyl-4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide, Papain-like protease nsp3 | | 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 (1.26 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
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7H0B
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0010716-001 | | 分子名称: | (4M)-4-(4-{[(1R)-1-(2,3-dihydro[1,4]dioxino[2,3-b]pyridin-6-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile, Papain-like protease nsp3 | | 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 (1.5 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
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7H0Y
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013258-001 | | 分子名称: | 4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-(1-methylazetidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Papain-like protease nsp3 | | 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 (1.51 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
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2BKT
 | | crystal structure of renin-pf00257567 complex | | 分子名称: | 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-PHENYL}-6-(1,2,,3,4-TETRAHYDRO-QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-2-ONE, RENIN | | 著者 | Powell, N.A, Clay, E.H, Holsworth, D.D, Edmunds, J.J, Bryant, J.W, Ryan, J.M, Jalaie, M, Zhang, E. | | 登録日 | 2005-02-18 | | 公開日 | 2006-04-05 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
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7H0S
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013769-001 | | 分子名称: | 4-{[(1S)-1-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Papain-like protease nsp3 | | 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 (1.29 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
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6RKQ
 | | Crystal Structure of TGT in complex with N2-methyl-8-(prop-1-yn-1-yl)-3H,7H,8H-imidazo[4,5-g]quinazoline-2,6-diamine | | 分子名称: | (8~{R})-~{N}2-methyl-8-prop-1-ynyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Hassaan, E, Heine, A, Klebe, G. | | 登録日 | 2019-04-30 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.665 Å) | | 主引用文献 | Fragment Screening Hit Draws Attention to a Novel Transient Pocket Adjacent to the Recognition Site of the tRNA-Modifying Enzyme TGT.
J.Med.Chem., 63, 2020
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5E5M
 | | Crystal structure of mouse CTLA-4 in complex with nanobody | | 分子名称: | CTLA-4 nanobody, Cytotoxic T-lymphocyte protein 4, GLYCEROL | | 著者 | Fedorov, A.A, Fedorov, E.V, Samanta, D, Bonanno, J.B, Almo, S.C. | | 登録日 | 2015-10-08 | | 公開日 | 2016-10-12 | | 最終更新日 | 2019-01-30 | | 実験手法 | X-RAY DIFFRACTION (2.182 Å) | | 主引用文献 | Crystal structure of mouse CTLA-4 in complex with nanobody
To Be Published
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7DJI
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2R4Z
 | | Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: Structure of I25W with CO | | 分子名称: | CARBON MONOXIDE, Globin-1, PHOSPHATE ION, ... | | 著者 | Knapp, J.E, Royer Jr, W.E, Nienhaus, K, Palladino, P, Nienhaus, G.U. | | 登録日 | 2007-09-02 | | 公開日 | 2007-11-27 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca inaequivalvis
Biochemistry, 46, 2007
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7GZC
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000588-001 | | 分子名称: | (3R)-3-(4-fluorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic 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 (1.185 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
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7GZO
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008338-001 | | 分子名称: | 3-cyclopropyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-L-alanine, 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 (1.2 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
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6RKT
 | | Crystal Structure of TGT in complex with N2-methyl-1H,7H,8H-imidazo[4,5-g]quinazoline-2,6-diamine | | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | 著者 | Hassaan, E, Heine, A, Klebe, G. | | 登録日 | 2019-04-30 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.746 Å) | | 主引用文献 | Fragment Screening Hit Draws Attention to a Novel Transient Pocket Adjacent to the Recognition Site of the tRNA-Modifying Enzyme TGT.
J.Med.Chem., 63, 2020
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7H0H
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011204-001 | | 分子名称: | N-ethyl-4-{[(1S)-2-methyl-1-(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Papain-like protease nsp3 | | 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 (1.31 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
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5DYM
 | | Crystal structure of a PadR family transcription regulator from hypervirulent Clostridium difficile R20291 - CdPadR_0991 to 1.89 Angstrom resolution | | 分子名称: | PadR-family transcriptional regulator | | 著者 | Isom, C.E, Karr, E.A, Menon, S.K, West, A.H, Richter-Addo, G.B. | | 登録日 | 2015-09-24 | | 公開日 | 2016-10-05 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.894 Å) | | 主引用文献 | Crystal structure and DNA binding activity of a PadR family transcription regulator from hypervirulent Clostridium difficile R20291.
Bmc Microbiol., 16, 2016
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4KYN
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2FPP
 | | Crystal structure of pig GTP-specific succinyl-CoA synthetase from polyethylene glycol with chloride ions | | 分子名称: | CHLORIDE ION, SULFATE ION, Succinyl-CoA ligase [GDP-forming] alpha-chain, ... | | 著者 | Fraser, M.E, Hayakawa, K, Hume, M.S, Ryan, D.G, Brownie, E.R. | | 登録日 | 2006-01-16 | | 公開日 | 2006-02-21 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Interactions of GTP with the ATP-grasp Domain of GTP-specific Succinyl-CoA Synthetase
J.Biol.Chem., 281, 2006
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1NUB
 | | HELIX C DELETION MUTANT OF BM-40 FS-EC DOMAIN PAIR | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BASEMENT MEMBRANE PROTEIN BM-40, CALCIUM ION | | 著者 | Hohenester, E, Sasaki, T, Timpl, R. | | 登録日 | 1997-12-05 | | 公開日 | 1998-12-30 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure and mapping by site-directed mutagenesis of the collagen-binding epitope of an activated form of BM-40/SPARC/osteonectin.
EMBO J., 17, 1998
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1NVE
 | | Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and NAD | | 分子名称: | 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | | 登録日 | 2003-02-03 | | 公開日 | 2003-03-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
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5ZZO
 | | Crystal structure of CcpE regulatory domain in complex with citrate from Staphyloccocus aureus | | 分子名称: | CITRATE ANION, LysR family transcriptional regulator | | 著者 | Chen, J, Wang, L, Shang, F, Xu, Y. | | 登録日 | 2018-06-04 | | 公開日 | 2018-06-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural and Biochemical Analysis of the Citrate-Responsive Mechanism of the Regulatory Domain of Catabolite Control Protein E from Staphylococcus aureus
Biochemistry, 57, 2018
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5KE2
 | | Crystal structure of SETDB1 Tudor domain in complex with inhibitor XST06472A | | 分子名称: | (3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ... | | 著者 | Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2016-06-09 | | 公開日 | 2016-07-13 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Crystal structure of SETDB1 Tudor domain in complex with inhibitor xst06472a
to be published
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6RXY
 | | Cryo-EM structure of the 90S pre-ribosome (Kre33-Noc4) from Chaetomium thermophilum, state a | | 分子名称: | 35S rRNA, 40S ribosomal protein S13-like protein, 40S ribosomal protein S14-like protein, ... | | 著者 | Cheng, J, Kellner, N, Griesel, S, Berninghausen, O, Beckmann, R, Hurt, E. | | 登録日 | 2019-06-10 | | 公開日 | 2019-08-14 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | Thermophile 90S Pre-ribosome Structures Reveal the Reverse Order of Co-transcriptional 18S rRNA Subdomain Integration.
Mol.Cell, 75, 2019
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7PFS
 | | Crystal structure of ERAP2 aminopeptidase in complex with phosphinic pseudotripeptide ((1R)-1-Amino-3-phenylpropyl){2-([1,1:3,1-terphenyl]-5-ylmethyl)-3-[((2S)-1-amino-1-oxo-3-phenylpropan-2-yl)-amino]-3-oxopropyl}phosphinic acid | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Giastas, P, Stratikos, E, Mpakali, A. | | 登録日 | 2021-08-12 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Inhibitor-Dependent Usage of the S1' Specificity Pocket of ER Aminopeptidase 2.
Acs Med.Chem.Lett., 13, 2022
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1AGG
 | | THE SOLUTION STRUCTURE OF OMEGA-AGA-IVB, A P-TYPE CALCIUM CHANNEL ANTAGONIST FROM THE VENOM OF AGELENOPSIS APERTA | | 分子名称: | OMEGA-AGATOXIN-IVB | | 著者 | Reily, M.D, Thanabal, V, Adams, M.E. | | 登録日 | 1995-11-03 | | 公開日 | 1996-03-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The solution structure of omega-Aga-IVB, a P-type calcium channel antagonist from venom of the funnel web spider, Agelenopsis aperta.
J.Biomol.NMR, 5, 1995
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