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PDB: 275 results

5Z0V
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Structural insight into the Zika virus capsid encapsulating the viral genome
Descriptor: Extracellular solute-binding protein family 1,viral genome protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Li, T, Zhao, Q, Yang, X, Chen, C, Yang, K, Wu, C, Zhang, T, Duan, Y, Xue, X, Mi, K, Ji, X, Wang, Z, Yang, H.
Deposit date:2017-12-21
Release date:2018-04-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.913 Å)
Cite:Structural insight into the Zika virus capsid encapsulating the viral genome.
Cell Res., 28, 2018
4OCQ
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BU of 4ocq by Molmil
N-acetylhexosamine 1-phosphate kinase in complex with GalNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, N-acetylhexosamine 1-phosphate kinase
Authors:Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J.
Deposit date:2014-01-09
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.878 Å)
Cite:Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes.
Acta Crystallogr.,Sect.D, 70, 2014
4OCK
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BU of 4ock by Molmil
N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc and AMPPNP
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J.
Deposit date:2014-01-09
Release date:2014-05-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes.
Acta Crystallogr.,Sect.D, 70, 2014
6KPP
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BU of 6kpp by Molmil
BNC105 in complex with tubulin
Descriptor: (6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, T, Wu, C, Pu, D.
Deposit date:2019-08-15
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.74524117 Å)
Cite:Unraveling the molecular mechanism of BNC105, a phase II clinical trial vascular disrupting agent, provides insights into drug design.
Biochem.Biophys.Res.Commun., 2020
4LFU
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BU of 4lfu by Molmil
Crystal structure of Escherichia coli SdiA in the space group C2
Descriptor: CHLORIDE ION, Regulatory protein SdiA, TETRAETHYLENE GLYCOL
Authors:Kim, T, Duong, T, Wu, C.A, Choi, J, Lan, N, Kang, S.W, Lokanath, N.K, Shin, D, Hwang, H.Y, Kim, K.K.
Deposit date:2013-06-27
Release date:2014-03-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural insights into the molecular mechanism of Escherichia coli SdiA, a quorum-sensing receptor
Acta Crystallogr.,Sect.D, 70, 2014
3QBA
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BU of 3qba by Molmil
Reintroducing Electrostatics into Macromolecular Crystallographic Refinement: Z-DNA (X-ray)
Descriptor: Z-DNA
Authors:Fenn, T.D, Schnieders, M.J, Mustyakimov, M, Wu, C, Langan, P, Pande, V.S, Brunger, A.T.
Deposit date:2011-01-12
Release date:2011-03-02
Last modified:2024-02-21
Method:NEUTRON DIFFRACTION (1.53 Å), X-RAY DIFFRACTION
Cite:Reintroducing electrostatics into macromolecular crystallographic refinement: application to neutron crystallography and DNA hydration.
Structure, 19, 2011
4OCP
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BU of 4ocp by Molmil
N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc-1-phosphate and ADP
Descriptor: 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J.
Deposit date:2014-01-09
Release date:2014-05-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.938 Å)
Cite:Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes.
Acta Crystallogr.,Sect.D, 70, 2014
4GHT
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BU of 4ght by Molmil
Crystal structure of EV71 3C proteinase in complex with AG7088
Descriptor: 3C proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER
Authors:Chen, C, Wu, C, Cai, Q, Li, N, Peng, X, Cai, Y, Yin, K, Chen, X, Wang, X, Zhang, R, Liu, L, Chen, S, Li, J, Lin, T.
Deposit date:2012-08-08
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structures of Enterovirus 71 3C proteinase (strain E2004104-TW-CDC) and its complex with rupintrivir
Acta Crystallogr.,Sect.D, 69, 2013
4P35
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BU of 4p35 by Molmil
Crystal structure of DJ-1 with Zinc(II) bound (crystal I)
Descriptor: CHLORIDE ION, GLYCEROL, Protein DJ-1, ...
Authors:Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2014-03-05
Release date:2014-04-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
4LGW
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BU of 4lgw by Molmil
Crystal structure of Escherichia coli SdiA in the space group P6522
Descriptor: GLYCEROL, Regulatory protein SdiA
Authors:Kim, T, Duong, T, Wu, C.A, Choi, J, Lan, N, Kang, S.W, Lokanath, N.K, Shin, D, Hwang, H.Y, Kim, K.K.
Deposit date:2013-06-28
Release date:2014-03-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insights into the molecular mechanism of Escherichia coli SdiA, a quorum-sensing receptor
Acta Crystallogr.,Sect.D, 70, 2014
4P2G
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BU of 4p2g by Molmil
Crystal structure of DJ-1 in sulfinic acid form (aged crystal)
Descriptor: 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, Protein DJ-1
Authors:Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2014-03-04
Release date:2014-04-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
4P36
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BU of 4p36 by Molmil
Crystal structure of DJ-1 With Zn(II) bound (crystal 2)
Descriptor: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Protein DJ-1, ZINC ION
Authors:Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2014-03-05
Release date:2014-04-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.182 Å)
Cite:Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
4P34
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BU of 4p34 by Molmil
Crystal structure of DJ-1 in sulfenic acid form (fresh crystal)
Descriptor: PENTAETHYLENE GLYCOL, Protein DJ-1
Authors:Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2014-03-05
Release date:2014-04-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
4GHQ
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BU of 4ghq by Molmil
Crystal structure of EV71 3C proteinase
Descriptor: 3C proteinase
Authors:Chen, C, Wu, C, Cai, Q, Li, N, Peng, X, Cai, Y, Yin, K, Chen, X, Wang, X, Zhang, R, Liu, L, Chen, S, Li, J, Lin, T.
Deposit date:2012-08-08
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of Enterovirus 71 3C proteinase (strain E2004104-TW-CDC) and its complex with rupintrivir
Acta Crystallogr.,Sect.D, 69, 2013
4FVD
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BU of 4fvd by Molmil
Crystal structure of EV71 2A proteinase C110A mutant in complex with substrate
Descriptor: 10-mer peptide from 2A proteinase, 2A proteinase, ZINC ION
Authors:Cai, Q, Muhammad, Y, Liu, W, Gao, Z, Peng, X, Cai, Y, Wu, C, Zheng, Q, Li, J, Lin, T.
Deposit date:2012-06-29
Release date:2013-06-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Conformational Plasticity of 2A Proteinase from Enterovirus 71
J.Virol., 87, 2013
4FVB
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BU of 4fvb by Molmil
Crystal structure of EV71 2A proteinase C110A mutant
Descriptor: 2A proteinase, ZINC ION
Authors:Cai, Q, Muhammad, Y, Liu, W, Gao, Z, Peng, X, Cai, Y, Wu, C, Zheng, Q, Li, J, Lin, T.
Deposit date:2012-06-29
Release date:2013-06-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational Plasticity of 2A Proteinase from Enterovirus 71
J.Virol., 87, 2013
7CEM
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BU of 7cem by Molmil
Crystal Structure of YbeA CP74 W7F
Descriptor: Ribosomal RNA large subunit methyltransferase H,Ribosomal RNA large subunit methyltransferase H
Authors:Liu, C.Y, Wu, C.Y, Lai, C.H, Hsu, S.T.D, Lyu, P.C.
Deposit date:2020-06-23
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4251 Å)
Cite:Crystal Structure of YbeA CP74 W7F
To Be Published
2K2R
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BU of 2k2r by Molmil
The NMR structure of alpha-parvin CH2/paxillin LD1 complex
Descriptor: Alpha-parvin, Paxillin
Authors:Wang, X, Fukuda, K, Byeon, I, Velyvis, A, Wu, C, Gronenborn, A, Qin, J.
Deposit date:2008-04-10
Release date:2008-05-27
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The Structure of {alpha}-Parvin CH2-Paxillin LD1 Complex Reveals a Novel Modular Recognition for Focal Adhesion Assembly.
J.Biol.Chem., 283, 2008
7DV3
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BU of 7dv3 by Molmil
Structure of Sulfolobus solfataricus SegA-AMPPNP protein
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SOJ protein (Soj)
Authors:Yen, C.Y, Lin, M.G, Wu, C.T, Hsiao, C.D, Sun, Y.J.
Deposit date:2021-01-12
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Chromosome segregation in Archaea: SegA- and SegB-DNA complex structures provide insights into segrosome assembly.
Nucleic Acids Res., 49, 2021
4MPN
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BU of 4mpn by Molmil
Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS10
Descriptor: 2-[(2,4-dihydroxyphenyl)sulfonyl]-2,3-dihydro-1H-isoindole-4,6-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ...
Authors:Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T.
Deposit date:2013-09-13
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
7CE2
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BU of 7ce2 by Molmil
The Crystal structure of TeNT Hc complexed with neutralizing antibody
Descriptor: Tetanus toxin, neutralizing antibody heavy chain, neutralizing antibody light chain
Authors:Wang, X, Wang, Y, Wu, C, Yu, J, Liao, H.
Deposit date:2020-06-21
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural basis of tetanus toxin neutralization by native human monoclonal antibodies.
Cell Rep, 35, 2021
4MP2
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BU of 4mp2 by Molmil
Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PA1
Descriptor: (5-bromo-2,4-dihydroxyphenyl)(1,3-dihydro-2H-isoindol-2-yl)methanone, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ...
Authors:Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T.
Deposit date:2013-09-12
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
7CIX
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BU of 7cix by Molmil
Crystal Structure of Agmatine N-Acetyltransferase mutant S171A in complex with CoA
Descriptor: Agmatine N-acetyltransferase, COENZYME A
Authors:Chen, J.J, Hu, I.C, Wu, C.Y, Lyu, P.C.
Deposit date:2020-07-08
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Crystal Structure of Agmatine N-Acetyltransferase mutant S171A in complex with CoA
To Be Published
5Z0R
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BU of 5z0r by Molmil
Structural insight into the Zika virus capsid encapsulating the viral genome
Descriptor: Extracellular solute-binding protein family 1,viral genome protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Li, T, Zhao, Q, Yang, X, Chen, C, Yang, K, Wu, C, Zhang, T, Duan, Y, Xue, X, Mi, K, Ji, X, Wang, Z, Yang, H.
Deposit date:2017-12-20
Release date:2018-04-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insight into the Zika virus capsid encapsulating the viral genome.
Cell Res., 28, 2018
4MPE
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BU of 4mpe by Molmil
Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS8
Descriptor: 4-[(5-hydroxy-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ...
Authors:Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T.
Deposit date:2013-09-12
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.953 Å)
Cite:Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014

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