1WUG
 
 | | complex structure of PCAF bromodomain with small chemical ligand NP1 | | Descriptor: | Histone acetyltransferase PCAF, N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | | Authors: | Zeng, L, Li, J, Muller, M, Yan, S, Mujtaba, S, Pan, C, Wang, Z, Zhou, M.M. | | Deposit date: | 2004-12-07 | | Release date: | 2005-08-16 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Selective small molecules blocking HIV-1 Tat and coactivator PCAF association
J.Am.Chem.Soc., 127, 2005
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1WUM
 | | Complex structure of PCAF bromodomain with small chemical ligand NP2 | | Descriptor: | Histone acetyltransferase PCAF, N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | | Authors: | Zeng, L, Li, J, Muller, M, Yan, S, Mujtaba, S, Pan, C, Wang, Z, Zhou, M.M. | | Deposit date: | 2004-12-08 | | Release date: | 2005-08-16 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Selective small molecules blocking HIV-1 Tat and coactivator PCAF association
J.Am.Chem.Soc., 127, 2005
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3VRC
 | | Crystal structure of cytochrome c' from Thermochromatium tepidum | | Descriptor: | CADMIUM ION, CHLORIDE ION, Cytochrome c', ... | | Authors: | Hirano, Y, Kimura, Y, Suzuki, H, Miki, K, Wang, Z.-Y. | | Deposit date: | 2012-04-09 | | Release date: | 2012-09-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structure Analysis and Comparative Characterization of the Cytochrome c' and Flavocytochrome c from Thermophilic Purple Photosynthetic Bacterium Thermochromatium tepidum
Biochemistry, 51, 2012
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3VRD
 | | Crystal structure of flavocytochrome c from Thermochromatium tepidum | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavocytochrome c flavin subunit, Flavocytochrome c heme subunit, ... | | Authors: | Hirano, Y, Kimura, Y, Suzuki, H, Miki, K, Wang, Z.-Y. | | Deposit date: | 2012-04-09 | | Release date: | 2012-09-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure Analysis and Comparative Characterization of the Cytochrome c' and Flavocytochrome c from Thermophilic Purple Photosynthetic Bacterium Thermochromatium tepidum
Biochemistry, 51, 2012
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3VZC
 | | Crystal structure of Sphingosine Kinase 1 with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol, Sphingosine kinase 1 | | Authors: | Min, X, Walker, N.P, Wang, Z. | | Deposit date: | 2012-10-11 | | Release date: | 2013-05-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis of sphingosine kinase 1 substrate recognition and catalysis.
Structure, 21, 2013
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6V3F
 | | Structure of NPC1-like intracellular cholesterol transporter 1 (NPC1L1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | | Authors: | Huang, C.S, Yu, X, Min, X, Wang, Z. | | Deposit date: | 2019-11-25 | | Release date: | 2020-07-01 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM structures of NPC1L1 reveal mechanisms of cholesterol transport and ezetimibe inhibition
Sci Adv, 6, 2020
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6URT
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6V3H
 | | Structure of NPC1-like intracellular cholesterol transporter 1 (NPC1L1) in complex with an ezetimibe analog | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-{3-[(methylsulfonyl)amino]prop-1-yn-1-yl}phenyl)-4-oxoazetidin-2-yl]phenyl beta-D-glucopyranosiduronic acid, ... | | Authors: | Huang, C.S, Yu, X, Min, X, Wang, Z. | | Deposit date: | 2019-11-25 | | Release date: | 2020-07-01 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structures of NPC1L1 reveal mechanisms of cholesterol transport and ezetimibe inhibition
Sci Adv, 6, 2020
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5YKI
 | | Crystal structure of the engineered nine-repeat PUF domain in complex with cognate 9nt-RNA | | Descriptor: | Pumilio homolog 1, RNA (5'-R(*UP*GP*UP*UP*GP*UP*AP*UP*A)-3') | | Authors: | Zhao, Y.Y, Wang, J, Li, H.T, Wang, Z.X, Wu, J.W. | | Deposit date: | 2017-10-14 | | Release date: | 2018-03-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Expanding RNA binding specificity and affinity of engineered PUF domains.
Nucleic Acids Res., 46, 2018
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5C01
 | | Crystal Structure of kinase | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2, ... | | Authors: | Min, X, Wang, Z, Walker, N. | | Deposit date: | 2015-06-12 | | Release date: | 2015-09-16 | | Last modified: | 2015-11-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and Functional Characterization of the JH2 Pseudokinase Domain of JAK Family Tyrosine Kinase 2 (TYK2).
J.Biol.Chem., 290, 2015
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5C03
 | | Crystal Structure of kinase | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Min, X, Wang, Z, Walker, N. | | Deposit date: | 2015-06-12 | | Release date: | 2015-09-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Functional Characterization of the JH2 Pseudokinase Domain of JAK Family Tyrosine Kinase 2 (TYK2).
J.Biol.Chem., 290, 2015
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5YKH
 | | Crystal structure of the engineered nine-repeat PUF domain | | Descriptor: | PHOSPHATE ION, Pumilio homolog 1 | | Authors: | Zhao, Y.Y, Wang, J, Li, H.T, Wang, Z.X, Wu, J.W. | | Deposit date: | 2017-10-14 | | Release date: | 2018-03-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.457 Å) | | Cite: | Expanding RNA binding specificity and affinity of engineered PUF domains.
Nucleic Acids Res., 46, 2018
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4KK0
 | | Crystal Structure of TSC1 core domain from S. pombe | | Descriptor: | Tuberous sclerosis 1 protein homolog | | Authors: | Sun, W, Zhu, Y, Wang, Z.Z, Zhong, Q, Gao, F, Lou, J.Z, Gong, W.M, Xu, W.Q. | | Deposit date: | 2013-05-05 | | Release date: | 2013-07-17 | | Last modified: | 2013-07-31 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the yeast TSC1 core domain and implications for tuberous sclerosis pathological mutations.
Nat Commun, 4, 2013
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5FDP
 | | Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution. | | Descriptor: | (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, Arrowsmith, C.H, von Delft, F, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-16 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors.
J.Med.Chem., 59, 2016
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5CO4
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4GQH
 | | The Conformations and Interactions of the Four-Layer Aggregate Revealed by X-ray Crystallography Diffraction Implied the Importance of Peptides at Opposite Ends in Their Assemblies | | Descriptor: | Capsid protein | | Authors: | Li, X.Y, Song, B.A, Hu, D.Y, Chen, X, Wang, Z.C, Zeng, M.J, Yu, D.D, Chen, Z, Jin, L.H, Yang, S. | | Deposit date: | 2012-08-23 | | Release date: | 2013-08-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | The Conformations and Interactions of the Four-Layer Aggregate Revealed by X-ray Crystallography Diffraction Implied the Importance of Peptides at Opposite Ends in Their Assemblies
To be Published
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4KK1
 | | Crystal Structure of TSC1 core domain from S. pombe | | Descriptor: | Tuberous sclerosis 1 protein homolog | | Authors: | Sun, W, Zhu, Y, Wang, Z.Z, Zhong, Q, Gao, F, Lou, J.Z, Gong, W.M, Xu, W.Q. | | Deposit date: | 2013-05-05 | | Release date: | 2013-07-17 | | Last modified: | 2013-07-31 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of the yeast TSC1 core domain and implications for tuberous sclerosis pathological mutations.
Nat Commun, 4, 2013
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7XS8
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7XSA
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7XSB
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2KU7
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3EQP
 | | Crystal Structure of Ack1 with compound T95 | | Descriptor: | Activated CDC42 kinase 1, CHLORIDE ION, N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide | | Authors: | Liu, J, Wang, Z, Walker, N.P.C. | | Deposit date: | 2008-10-01 | | Release date: | 2008-12-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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3EQR
 | | Crystal Structure of Ack1 with compound T74 | | Descriptor: | Activated CDC42 kinase 1, CHLORIDE ION, N~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N~6~-(4-piperazin-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine | | Authors: | Liu, J, Wang, Z, Walker, N.P.C. | | Deposit date: | 2008-10-01 | | Release date: | 2008-12-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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4EWH
 | | Co-crystal structure of ACK1 with inhibitor | | Descriptor: | 6-{4-[2-(dimethylamino)ethoxy]phenyl}-N-(1,3-dithiolan-2-ylmethyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Activated CDC42 kinase 1 | | Authors: | Liu, J, Walker, N, Wang, Z. | | Deposit date: | 2012-04-27 | | Release date: | 2012-09-19 | | Last modified: | 2012-10-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Synthesis and optimization of substituted furo[2,3-d]-pyrimidin-4-amines and 7H-pyrrolo[2,3-d]pyrimidin-4-amines as ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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5Y6M
 | | Zika virus helicase in complex with ADP-AlF3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Helicase domain from Genome polyprotein, ... | | Authors: | Yang, X.Y, Chen, C, Tian, H.L, Chi, H, Mu, Z.Y, Zhang, T.Q, Yang, K.L, Zhao, Q, Liu, X.H, Wang, Z.F, Ji, X.Y, Yang, H.T. | | Deposit date: | 2017-08-12 | | Release date: | 2018-07-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Mechanism of ATP hydrolysis by the Zika virus helicase.
FASEB J., 32, 2018
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