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PDB: 270 results

7DHS
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BU of 7dhs by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-phenylethyl]benzo[cd]indol-2-one, Bromodomain-containing protein 4
Authors:Wu, T, Xiang, Q, Wang, C, Wu, C, Zhang, C, Zhang, M, Liu, Z, Zhang, Y, Xiao, L, Xu, Y.
Deposit date:2020-11-17
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Y06014 is a selective BET inhibitor for the treatment of prostate cancer.
Acta Pharmacol.Sin., 42, 2021
5CHL
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BU of 5chl by Molmil
Structural basis of H2A.Z recognition by YL1 histone chaperone component of SRCAP/SWR1 chromatin remodeling complex
Descriptor: Histone H2A.Z, Vacuolar protein sorting-associated protein 72 homolog
Authors:Shan, S, Liang, X, Pan, L, Wu, C, Zhou, Z.
Deposit date:2015-07-10
Release date:2016-03-09
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Structural basis of H2A.Z recognition by SRCAP chromatin-remodeling subunit YL1
Nat.Struct.Mol.Biol., 23, 2016
1PJF
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BU of 1pjf by Molmil
Solid State NMR structure of the Pf1 Major Coat Protein in Magnetically Aligned Bacteriophage
Descriptor: COAT PROTEIN B
Authors:Thiriot, D.S, Nevzorov, A.A, Zagyanskiy, L, Wu, C.H, Opella, S.J.
Deposit date:2003-06-02
Release date:2004-08-10
Last modified:2024-05-01
Method:SOLID-STATE NMR
Cite:Structure of the coat protein in Pf1 bacteriophage determined by solid-state NMR spectroscopy.
J.Mol.Biol., 341, 2004
6C54
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BU of 6c54 by Molmil
Ebola nucleoprotein nucleocapsid-like assembly and the asymmetric unit
Descriptor: Nucleoprotein
Authors:Su, Z, Wu, C, Pintilie, G.D, Chiu, W, Amarasinghe, G.K, Leung, D.W.
Deposit date:2018-01-13
Release date:2018-03-07
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Electron Cryo-microscopy Structure of Ebola Virus Nucleoprotein Reveals a Mechanism for Nucleocapsid-like Assembly.
Cell, 172, 2018
5ZRF
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BU of 5zrf by Molmil
Crystal structure of human topoisomerase II beta in complex with 5-iodouridine-containing-DNA and etoposide in space group p21
Descriptor: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA topoisomerase 2-beta, ...
Authors:Chen, S.F, Wang, Y.R, Wu, C.C, Chan, N.L.
Deposit date:2018-04-24
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the gating of DNA passage by the topoisomerase II DNA-gate.
Nat Commun, 9, 2018
1XNL
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BU of 1xnl by Molmil
ASLV fusion peptide
Descriptor: membrane protein gp37
Authors:Cheng, S.F, Wu, C.W, Kantchev, E.A, Chang, D.K.
Deposit date:2004-10-05
Release date:2005-01-11
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Structure and membrane interaction of the internal fusion peptide of avian sarcoma leukosis virus
Eur.J.Biochem., 271, 2004
7Y99
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BU of 7y99 by Molmil
Crystal Structure Analysis of cp2 bound BCLxl
Descriptor: Bcl-2-like protein 1, CP2 peptide, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
Authors:Li, F.W, Liu, C, Wu, C.L, Wu, D.L.
Deposit date:2022-06-24
Release date:2023-09-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
5Z0V
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BU of 5z0v 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:2017-12-21
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
7Y8D
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BU of 7y8d by Molmil
Crystal structure of cp1 bound BCLxl
Descriptor: (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Bcl-2-like protein 1, cp1 peptide
Authors:Li, F.W, Liu, C, Wu, C.L, Wu, D.L.
Deposit date:2022-06-23
Release date:2023-11-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
7YA5
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BU of 7ya5 by Molmil
Crystal structure analysis of cp1 bound BCL2/G101V
Descriptor: (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide
Authors:Li, F.W, Liu, C, Wu, C.L, Wu, D.L.
Deposit date:2022-06-27
Release date:2023-11-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
7YAA
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BU of 7yaa by Molmil
Crystal structure analysis of cp3 bound BCLxl
Descriptor: Bcl-2-like protein 1, GLYCEROL, N-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide, ...
Authors:Li, F.W, Liu, C, Wu, C.L, Wu, D.L.
Deposit date:2022-06-27
Release date:2023-11-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
3L86
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BU of 3l86 by Molmil
The Crystal Structure of smu.665 from Streptococcus mutans UA159
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Acetylglutamate kinase, MAGNESIUM ION, ...
Authors:Su, X.-D, Liu, X, Wu, C.W.
Deposit date:2009-12-30
Release date:2011-01-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The Crystal Structure of smu.665 from Streptococcus mutans UA159
TO BE PUBLISHED
1U5S
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BU of 1u5s by Molmil
NMR structure of the complex between Nck-2 SH3 domain and PINCH-1 LIM4 domain
Descriptor: Cytoplasmic protein NCK2, PINCH protein, ZINC ION
Authors:Vaynberg, J, Fukuda, T, Vinogradova, O, Velyvis, A, Ng, L, Wu, C, Qin, J.
Deposit date:2004-07-28
Release date:2005-04-05
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of an ultraweak protein-protein complex and its crucial role in regulation of cell morphology and motility.
Mol.Cell, 17, 2005
6J3P
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BU of 6j3p by Molmil
Crystal structure of the human GCN5 bromodomain in complex with compound (R,R)-36n
Descriptor: 2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2A
Authors:Huang, L.Y, Li, H, Niu, L, Wu, C.Y, Yu, Y.M, Li, L.L, Yang, S.Y.
Deposit date:2019-01-05
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
5VAP
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BU of 5vap by Molmil
Crystal structure of eVP30 C-terminus and eNP peptide
Descriptor: Minor nucleoprotein VP30, NP
Authors:XU, W, WU, C, Leung, D.W, Amarasinghe, G.K.
Deposit date:2017-03-27
Release date:2017-06-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ebola virus VP30 and nucleoprotein interactions modulate viral RNA synthesis.
Nat Commun, 8, 2017
6J3O
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BU of 6j3o by Molmil
Crystal structure of the human PCAF bromodomain in complex with compound 12
Descriptor: 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2B
Authors:Huang, L.Y, Li, H, Li, L.L, Niu, L, Seupel, R, Wu, C.Y, Li, G.B, Yu, Y.M, Brennan, P.E, Yang, S.Y.
Deposit date:2019-01-05
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
4OCJ
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BU of 4ocj by Molmil
N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, SODIUM 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:2020-07-29
Method:X-RAY DIFFRACTION (1.571 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
4OCO
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BU of 4oco by Molmil
N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc-1-phosphate
Descriptor: 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, 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:2023-12-06
Method:X-RAY DIFFRACTION (2.16 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
4OCU
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BU of 4ocu by Molmil
N-acetylhexosamine 1-phosphate kinase_ATCC15697 in complex with GlcNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, SULFATE 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:2023-09-20
Method:X-RAY DIFFRACTION (1.904 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
8I0B
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BU of 8i0b by Molmil
The crystal structure of human glutamate receptor 2 in complex with LT-102
Descriptor: 8-[4-(2-fluorophenyl)phenyl]-3,4-dihydro-1,2$l^{6},3-benzoxathiazine 2,2-dioxide, CHLORIDE ION, Glutamate receptor 2,Isoform Flip of Glutamate receptor 2, ...
Authors:Qi, X.Y, Wu, C.Y.
Deposit date:2023-01-10
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure of the human GluA2 LBD in complex with LT-102
To Be Published
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
4OCV
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BU of 4ocv by Molmil
N-acetylhexosamine 1-phosphate kinase_ATCC15697 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:2023-09-20
Method:X-RAY DIFFRACTION (1.472 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
7W8T
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BU of 7w8t by Molmil
Solution structures of a disulfide-rich peptide that can bind KEAP1
Descriptor: DRP3
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7W8R
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BU of 7w8r by Molmil
Solution structures of a disulfide-rich peptide that can bind mdm2
Descriptor: drp2-b
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
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

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數據於2024-06-12公開中

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