7HOP
 
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014657-001 | | 分子名称: | 5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide, DIMETHYL SULFOXIDE, SULFATE ION, ... | | 著者 | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | | 登録日 | 2024-11-07 | | 公開日 | 2025-02-26 | | 最終更新日 | 2025-05-28 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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7HOT
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014668-001 | | 分子名称: | DIMETHYL SULFOXIDE, N-(3-methylpyridin-4-yl)-3-(1,3-thiazol-2-yl)benzamide, SULFATE ION, ... | | 著者 | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | | 登録日 | 2024-11-07 | | 公開日 | 2025-02-26 | | 最終更新日 | 2025-05-28 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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8C27
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7HUH
 | | Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0031591-001 (A71EV2A-x3175) | | 分子名称: | 1-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1H-indole-3-carboxamide, DIMETHYL SULFOXIDE, Protease 2A, ... | | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Kenton, N, Tucker, J, DiPoto, M, Lee, A, Fearon, D, von Delft, F. | | 登録日 | 2025-01-10 | | 公開日 | 2025-02-26 | | 実験手法 | X-RAY DIFFRACTION (1.516 Å) | | 主引用文献 | Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre
To Be Published
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7HUZ
 | | Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0032050-001 (A71EV2A-x3264) | | 分子名称: | 1-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Protease 2A, ... | | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Kenton, N, Tucker, J, DiPoto, M, Lee, A, Fearon, D, von Delft, F. | | 登録日 | 2025-01-10 | | 公開日 | 2025-02-26 | | 実験手法 | X-RAY DIFFRACTION (1.442 Å) | | 主引用文献 | Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre
To Be Published
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7HPE
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015259-001 | | 分子名称: | DIMETHYL SULFOXIDE, N-(1-methyl-1H-pyrazol-4-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide, Serine protease NS3, ... | | 著者 | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | | 登録日 | 2024-11-07 | | 公開日 | 2025-02-26 | | 最終更新日 | 2025-05-28 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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6KNL
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7HPB
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015080-001 | | 分子名称: | DIMETHYL SULFOXIDE, N-{3-chloro-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl}-2-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide, Serine protease NS3, ... | | 著者 | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | | 登録日 | 2024-11-07 | | 公開日 | 2025-02-26 | | 最終更新日 | 2025-05-28 | | 実験手法 | X-RAY DIFFRACTION (2.156 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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7HV6
 | | Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0032204-001 (A71EV2A-x3410) | | 分子名称: | 1,3-dimethyl-N-[2-(1,3-oxazol-4-yl)ethyl]-1H-indazole-6-carboxamide, DIMETHYL SULFOXIDE, Protease 2A, ... | | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Kenton, N, Tucker, J, DiPoto, M, Lee, A, Fearon, D, von Delft, F. | | 登録日 | 2025-01-10 | | 公開日 | 2025-02-26 | | 実験手法 | X-RAY DIFFRACTION (1.368 Å) | | 主引用文献 | Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre
To Be Published
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3LXN
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2X3X
 | | structure of mouse syndapin I (crystal form 1) | | 分子名称: | PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 1 | | 著者 | Ma, Q, Rao, Y, Vahedi-Faridi, A, Saenger, W, Haucke, V. | | 登録日 | 2010-01-28 | | 公開日 | 2010-04-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | Molecular Basis for SH3 Domain Regulation of F-Bar-Mediated Membrane Deformation.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4LV8
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3I73
 | | Structural characterization for the nucleotide binding ability of subunit A with ADP of the A1AO ATP synthase | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, A-TYPE ATP SYNTHASE CATALYTIC SUBUNIT A, ... | | 著者 | Manimekalai, S.M.S, Kumar, A, Balakrishna, A.M, Gruber, G. | | 登録日 | 2009-07-08 | | 公開日 | 2010-01-12 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Nucleotide binding states of subunit A of the A-ATP synthase and the implication of P-loop switch in evolution.
J.Mol.Biol., 396, 2010
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4QKM
 | | Influenza A M2 wild type TM domain at low pH in the lipidic cubic phase under room temperature diffraction conditions | | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, CALCIUM ION, ... | | 著者 | Thomaston, J.L, DeGrado, W.F. | | 登録日 | 2014-06-06 | | 公開日 | 2015-11-11 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4LWW
 | | Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | | 分子名称: | 1,2-ETHANEDIOL, N-(4-(phenylsulfonyl)benzyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | 著者 | Zheng, X, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynoids, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Wang, L, Yuen, P, Bair, K.W. | | 登録日 | 2013-07-28 | | 公開日 | 2013-12-25 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.641 Å) | | 主引用文献 | Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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7HPG
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015487-001 | | 分子名称: | DIMETHYL SULFOXIDE, N-(3-methylpyridin-4-yl)-2-oxo-1-{[(3R)-pyrrolidin-3-yl]methyl}-1,2-dihydropyridine-3-carboxamide, SULFATE ION, ... | | 著者 | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | | 登録日 | 2024-11-07 | | 公開日 | 2025-02-26 | | 最終更新日 | 2025-05-28 | | 実験手法 | X-RAY DIFFRACTION (1.664 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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7HPH
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015442-001 | | 分子名称: | 4-methoxy-2-(piperazin-1-yl)-6-{[2-(piperazin-1-yl)pyridin-4-yl]methyl}pyrimidine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | 著者 | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | | 登録日 | 2024-11-07 | | 公開日 | 2025-02-26 | | 最終更新日 | 2025-05-28 | | 実験手法 | X-RAY DIFFRACTION (2.337 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5MQF
 | | Cryo-EM structure of a human spliceosome activated for step 2 of splicing (C* complex) | | 分子名称: | 116 kDa U5 small nuclear ribonucleoprotein component, ATP-dependent RNA helicase DHX8, Cell division cycle 5-like protein, ... | | 著者 | Bertram, K, Hartmuth, K, Kastner, B. | | 登録日 | 2016-12-20 | | 公開日 | 2017-03-22 | | 最終更新日 | 2025-07-09 | | 実験手法 | ELECTRON MICROSCOPY (5.9 Å) | | 主引用文献 | Cryo-EM structure of a human spliceosome activated for step 2 of splicing.
Nature, 542, 2017
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3AF9
 | | Crystal Structure of Pd(allyl)/apo-C48AFr | | 分子名称: | 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ... | | 著者 | Abe, S, Hikage, T, Watanabe, Y, Kitagawa, S, Ueno, T. | | 登録日 | 2010-02-24 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Mechanism of Accumulation and Incorporation of Organometallic Pd Complexes into the Protein Nanocage of apo-Ferritin.
Inorg.Chem., 49, 2010
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7HV3
 | | Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0032003-001 (A71EV2A-x3306) | | 分子名称: | 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-indazole-3-carboxamide, DIMETHYL SULFOXIDE, Protease 2A, ... | | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Kenton, N, Tucker, J, DiPoto, M, Lee, A, Fearon, D, von Delft, F. | | 登録日 | 2025-01-10 | | 公開日 | 2025-02-26 | | 実験手法 | X-RAY DIFFRACTION (1.907 Å) | | 主引用文献 | Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre
To Be Published
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5D2M
 | | Complex between human SUMO2-RANGAP1, UBC9 and ZNF451 | | 分子名称: | 1,2-ETHANEDIOL, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ... | | 著者 | Cappadocia, L, Lima, C.D. | | 登録日 | 2015-08-05 | | 公開日 | 2015-11-04 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural basis for catalytic activation by the human ZNF451 SUMO E3 ligase.
Nat.Struct.Mol.Biol., 22, 2015
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3QCR
 | | Incomplete structural model of a human telomeric DNA quadruplex-acridine complex. | | 分子名称: | Human telomeric repeat deoxyribonucleic acid, N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide], POTASSIUM ION | | 著者 | Collie, G.W, Neidle, S, Parkinson, G.N. | | 登録日 | 2011-01-17 | | 公開日 | 2011-02-16 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural basis of telomeric RNA quadruplex-acridine ligand recognition.
J.Am.Chem.Soc., 133, 2011
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4Q4P
 | | tRNA-Guanine Transglycosylase (TGT) in Complex with 2-{[2-(PIPERIDIN-1-YL)ETHYL]AMINO}-3,5-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE | | 分子名称: | 2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Neeb, M, Heine, A, Klebe, G. | | 登録日 | 2014-04-15 | | 公開日 | 2014-07-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.539 Å) | | 主引用文献 | Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of a Flat Structure-Activity Relationship for Inhibition of a tRNA-Modifying Enzyme.
J.Med.Chem., 57, 2014
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8W3L
 | | Crystal structure of prefusion-stabilized RSV F protein UFCR2-iSS-P2-NQ | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, prefusion-stabilized RSV F protein UFCR2-iSS-P2-NQ | | 著者 | Lee, Y.Z, Stanfield, R.L, Wilson, I.A, Zhu, J. | | 登録日 | 2024-02-22 | | 公開日 | 2025-01-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Rational design of uncleaved prefusion-closed trimer vaccines for human respiratory syncytial virus and metapneumovirus.
Nat Commun, 15, 2024
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4FEQ
 | | Inhibitor bound structure of the kinase domain of the murine receptor tyrosine kinase TYRO3 (Sky) | | 分子名称: | 4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{[2-(pyridin-4-yl)ethyl]amino}pyrimidine-5-carboxamide, Tyrosine-protein kinase receptor TYRO3 | | 著者 | Ohren, J.F, Powell, N.A, Kohrt, J.T, Perrin, L.A. | | 登録日 | 2012-05-30 | | 公開日 | 2013-03-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase.
Bioorg.Med.Chem.Lett., 23, 2013
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