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5JWA
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BU of 5jwa by Molmil
the structure of malaria PfNDH2
Descriptor: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, ...
Authors:Yu, Y, Yang, Y.Q, Li, X.L, Yu, J, Ge, J.P, Li, J, Rao, Y, Yang, M.J.
Deposit date:2016-05-11
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.162 Å)
Cite:Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria
J. Med. Chem., 60, 2017
7FB5
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BU of 7fb5 by Molmil
Crystal structure of FAM134B/GABARAP complex
Descriptor: Gamma-aminobutyric acid receptor-associated protein, Reticulophagy regulator 1
Authors:Zhao, J, Li, J.
Deposit date:2021-07-08
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:The crystal structure of the FAM134B-GABARAP complex provides mechanistic insights into the selective binding of FAM134 to the GABARAP subfamily.
Febs Open Bio, 12, 2022
3DEH
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BU of 3deh by Molmil
Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors
Descriptor: Caspase-3, isoquinoline-1,3,4(2H)-trione
Authors:Wu, J, Du, J, Li, J, Ding, J.
Deposit date:2008-06-10
Release date:2008-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
3DEI
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BU of 3dei by Molmil
Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors
Descriptor: (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate, Caspase-3
Authors:Wu, J, Du, J, Li, J, Ding, J.
Deposit date:2008-06-10
Release date:2008-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
3DEK
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BU of 3dek by Molmil
Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors
Descriptor: Caspase-3, N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide
Authors:Wu, J, Du, J, Li, J, Ding, J.
Deposit date:2008-06-10
Release date:2008-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
5GZO
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BU of 5gzo by Molmil
Structure of neutralizing antibody bound to Zika envelope protein
Descriptor: Antibody heavy chain, Antibody light chain, Genome polyprotein
Authors:Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F.
Deposit date:2016-09-29
Release date:2017-01-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.755 Å)
Cite:Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
6L0O
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BU of 6l0o by Molmil
WH domain of human MCM8
Descriptor: DNA helicase MCM8, SULFATE ION
Authors:Liu, Y, Li, J, Liu, L, Zeng, H.
Deposit date:2019-09-26
Release date:2020-04-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Crystal structure of the winged-helix domain of MCM8.
Biochem.Biophys.Res.Commun., 526, 2020
5GZN
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BU of 5gzn by Molmil
Structure of neutralizing antibody bound to Zika envelope protein
Descriptor: Antibody Heavy chain, Antibody light chain, Genome polyprotein
Authors:Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F.
Deposit date:2016-09-29
Release date:2016-12-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
5X61
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BU of 5x61 by Molmil
Crystal structure of Acetylcholinesterase Catalytic Subunit of the Malaria Vector Anopheles Gambiae, 3.4 A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMMONIUM ION, ...
Authors:Han, Q, Robinson, H, Ding, H, Wong, D.M, Lam, P.C.H, Totrov, M.M, Carlier, P.R, Li, J.
Deposit date:2017-02-20
Release date:2017-03-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector Anopheles gambiae
Insect Sci., 2017
6KZJ
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BU of 6kzj by Molmil
Crystal structure of Ankyrin B/NdeL1 complex
Descriptor: Ankyrin-2, Nuclear distribution protein nudE-like 1
Authors:Ye, J, Li, J, Ye, F, Zhang, M, Zhang, Y, Wang, C.
Deposit date:2019-09-24
Release date:2020-01-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanistic insights into the interactions of dynein regulator Ndel1 with neuronal ankyrins and implications in polarity maintenance.
Proc.Natl.Acad.Sci.USA, 117, 2020
5Y4E
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BU of 5y4e by Molmil
Crystal Structure of AnkB Ankyrin Repeats R8-14 in complex with autoinhibition segment AI-b
Descriptor: Ankyrin-2,Ankyrin-2, GLYCEROL, SULFATE ION
Authors:Chen, K, Li, J, Wang, C, Wei, Z, Zhang, M.
Deposit date:2017-08-03
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.341 Å)
Cite:Autoinhibition of ankyrin-B/G membrane target bindings by intrinsically disordered segments from the tail regions.
Elife, 6, 2017
6LTH
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BU of 6lth by Molmil
Structure of human BAF Base module
Descriptor: AT-rich interactive domain-containing protein 1A, SWI/SNF complex subunit SMARCC2, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1, ...
Authors:He, S, Wu, Z, Tian, Y, Yu, Z, Yu, J, Wang, X, Li, J, Liu, B, Xu, Y.
Deposit date:2020-01-22
Release date:2020-02-12
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of nucleosome-bound human BAF complex.
Science, 367, 2020
4WZJ
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BU of 4wzj by Molmil
Spliceosomal U4 snRNP core domain
Descriptor: Small nuclear ribonucleoprotein E, Small nuclear ribonucleoprotein F, Small nuclear ribonucleoprotein G, ...
Authors:Leung, A.K.W, Nagai, K, Li, J.
Deposit date:2014-11-19
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structure of the spliceosomal U4 snRNP core domain and its implication for snRNP biogenesis.
Nature, 473, 2011
4ZWJ
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BU of 4zwj by Molmil
Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser
Descriptor: Chimera protein of human Rhodopsin, mouse S-arrestin, and T4 Endolysin
Authors:Kang, Y, Zhou, X.E, Gao, X, He, Y, Liu, W, Ishchenko, A, Barty, A, White, T.A, Yefanov, O, Han, G.W, Xu, Q, de Waal, P.W, Ke, J, Tan, M.H.E, Zhang, C, Moeller, A, West, G.M, Pascal, B, Eps, N.V, Caro, L.N, Vishnivetskiy, S.A, Lee, R.J, Suino-Powell, K.M, Gu, X, Pal, K, Ma, J, Zhi, X, Boutet, S, Williams, G.J, Messerschmidt, M, Gati, C, Zatsepin, N.A, Wang, D, James, D, Basu, S, Roy-Chowdhury, S, Conrad, C, Coe, J, Liu, H, Lisova, S, Kupitz, C, Grotjohann, I, Fromme, R, Jiang, Y, Tan, M, Yang, H, Li, J, Wang, M, Zheng, Z, Li, D, Howe, N, Zhao, Y, Standfuss, J, Diederichs, K, Dong, Y, Potter, C.S, Carragher, B, Caffrey, M, Jiang, H, Chapman, H.N, Spence, J.C.H, Fromme, P, Weierstall, U, Ernst, O.P, Katritch, V, Gurevich, V.V, Griffin, P.R, Hubbell, W.L, Stevens, R.C, Cherezov, V, Melcher, K, Xu, H.E, GPCR Network (GPCR)
Deposit date:2015-05-19
Release date:2015-07-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.302 Å)
Cite:Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser.
Nature, 523, 2015
9OBP
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BU of 9obp by Molmil
Cryo-EM structure of alpha-synuclein filaments derived from the frontal cortex of the case of atypical multiple system atrophy
Descriptor: Alpha-synuclein, Unidentified protein
Authors:Enomoto, M, Martinez-Valbuena, I, Forrest, S.L, Xu, X, Munhoz, R, Li, J, Rogaeva, E, Lang, A.E, Kovacs, G.G.
Deposit date:2025-04-23
Release date:2025-06-25
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Lewy-MSA hybrid fold drives distinct neuronal alpha-synuclein pathology.
Commun Biol, 8, 2025
1W7L
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BU of 1w7l by Molmil
Crystal structure of human kynurenine aminotransferase I
Descriptor: KYNURENINE--OXOGLUTARATE TRANSAMINASE I, PYRIDOXAL-5'-PHOSPHATE
Authors:Rossi, F, Han, Q, Li, J, Li, J, Rizzi, M.
Deposit date:2004-09-06
Release date:2004-09-08
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Human Kynurenine Aminotransferase I
J.Biol.Chem., 279, 2004
5C20
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BU of 5c20 by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound 2
Descriptor: 2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase
Authors:Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
1W7N
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BU of 1w7n by Molmil
Crystal structure of human kynurenine aminotransferase I in PMP form
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, KYNURENINE--OXOGLUTARATE TRANSAMINASE I
Authors:Rossi, F, Han, Q, Li, J, Li, J, Rizzi, M.
Deposit date:2004-09-06
Release date:2004-09-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Human Kynurenine Aminotransferase I
J.Biol.Chem., 279, 2004
1W7M
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BU of 1w7m by Molmil
Crystal structure of human kynurenine aminotransferase I in complex with L-Phe
Descriptor: KYNURENINE--OXOGLUTARATE TRANSAMINASE I, PHENYLALANINE, PYRIDOXAL-5'-PHOSPHATE
Authors:Rossi, F, Han, Q, Li, J, Li, J, Rizzi, M.
Deposit date:2004-09-06
Release date:2004-09-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Human Kynurenine Aminotransferase I
J.Biol.Chem., 279, 2004
5C1U
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BU of 5c1u by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound Xb
Descriptor: (2S)-2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide, 3C proteinase
Authors:Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5C1X
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BU of 5c1x by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound VIII
Descriptor: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase
Authors:Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5C1Y
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BU of 5c1y by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound 1
Descriptor: 3C proteinase, propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
Authors:Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
7F43
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BU of 7f43 by Molmil
PARP15 catalytic domain in complex with Niraparib
Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, Protein mono-ADP-ribosyltransferase PARP15
Authors:Zhou, X.L, Zhou, H, Li, J, Zhang, J.
Deposit date:2021-06-17
Release date:2022-06-22
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structures of the catalytic domain of human PARP15 in complex with small molecule inhibitors
Biochem.Biophys.Res.Commun., 622, 2022
7F41
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BU of 7f41 by Molmil
PARP15 catalytic domain in complex with 3-AMINOBENZAMIDE
Descriptor: 3-aminobenzamide, Protein mono-ADP-ribosyltransferase PARP15
Authors:Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
Deposit date:2021-06-17
Release date:2022-06-22
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.39721382 Å)
Cite:Crystal structures of the catalytic domain of human PARP15 in complex with small molecule inhibitors
Biochem.Biophys.Res.Commun., 622, 2022
6BWD
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BU of 6bwd by Molmil
3.7 angstrom cryoEM structure of truncated mouse TRPM7
Descriptor: CHOLESTEROL HEMISUCCINATE, MAGNESIUM ION, Transient receptor potential cation channel subfamily M member 7
Authors:Zhang, J, Li, Z, Duan, J, Li, J, Hulse, R.E, Santa-Cruz, A, Abiria, S.A, Krapivinsky, G, Clapham, D.E.
Deposit date:2017-12-14
Release date:2018-08-15
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of the mammalian TRPM7, a magnesium channel required during embryonic development.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

238582

数据于2025-07-09公开中

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