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PDB: 146 件

5OCV
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A Rare Lysozyme Crystal Form Solved Using High-Redundancy 3D Electron Diffraction Data from Micron-Sized Needle Shaped Crystals
分子名称: Lysozyme C, SODIUM ION
著者Xu, H, Lebrette, H, Yang, T, Srinivas, V, Hovmoller, S, Hogbom, M, Zou, X.
登録日2017-07-03
公開日2018-03-28
最終更新日2024-01-17
実験手法ELECTRON CRYSTALLOGRAPHY (2.2 Å)
主引用文献A Rare Lysozyme Crystal Form Solved Using Highly Redundant Multiple Electron Diffraction Datasets from Micron-Sized Crystals.
Structure, 26, 2018
6LG5
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Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-1038
分子名称: 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one, Bromodomain-containing protein 4
著者Xu, H, Zuo, Y, Zhang, H.
登録日2019-12-04
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
6QRZ
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Crystal structure of R2-like ligand-binding oxidase from Sulfolobus acidocaldarius solved by 3D micro-crystal electron diffraction
分子名称: FE (III) ION, MANGANESE (III) ION, Ribonucleoside-diphosphate reductase
著者Xu, H, Lebrette, H, Clabbers, M.T.B, Zhao, J, Griese, J.J, Zou, X, Hogbom, M.
登録日2019-02-20
公開日2019-04-24
最終更新日2024-05-15
実験手法ELECTRON CRYSTALLOGRAPHY (3 Å)
主引用文献Solving a new R2lox protein structure by microcrystal electron diffraction.
Sci Adv, 5, 2019
7DCN
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Apo-citrate lyase phosphoribosyl-dephospho-CoA transferase
分子名称: Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, SULFATE ION, ZINC ION
著者Xu, H, Wang, B, Su, X.D.
登録日2020-10-26
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.695 Å)
主引用文献Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
7DCM
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Crystal structure of CITX
分子名称: Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, ZINC ION
著者Xu, H, Wang, B, Su, X.D.
登録日2020-10-26
公開日2021-11-03
最終更新日2023-05-17
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
6LG7
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Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-2030
分子名称: 2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol, Bromodomain-containing protein 4
著者Xu, H, Zuo, Y.
登録日2019-12-04
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
6LG6
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Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-1021
分子名称: Bromodomain-containing protein 4, N-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide
著者Xu, H, Zuo, Y.
登録日2019-12-04
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
8WY3
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BU of 8wy3 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 21
分子名称: Bromodomain-containing protein 4, ~{N}-cyclopropyl-2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]ethanamide
著者Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X.
登録日2023-10-30
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
8WYG
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Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor 22
分子名称: 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 2
著者Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X.
登録日2023-10-30
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
8WXY
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Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 23
分子名称: 5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-4-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]pyridin-2-one, Bromodomain-containing protein 4, GLYCEROL
著者Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X.
登録日2023-10-30
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
8WY7
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BU of 8wy7 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 22
分子名称: 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 4
著者Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X.
登録日2023-10-30
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
8K14
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X-ray crystal structure of 18a in BRD4(1)
分子名称: 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4
著者Xu, H, Shen, H, Zhang, Y, Xu, Y, Li, R.
登録日2023-07-10
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Discovery of (R)-4-(8-methoxy-2-methyl-1-(1-phenylethy)-1H-imidazo[4,5-c]quinnolin-7-yl)-3,5-dimethylisoxazole as a potent and selective BET inhibitor for treatment of acute myeloid leukemia (AML) guided by FEP calculation.
Eur.J.Med.Chem., 263, 2024
3J6C
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BU of 3j6c by Molmil
Cryo-EM structure of MAVS CARD filament
分子名称: Mitochondrial antiviral-signaling protein
著者Xu, H, He, X, Zheng, H, Huang, L.J, Hou, F, Yu, Z, de la Cruz, M.J, Borkowski, B, Zhang, X, Chen, Z.J, Jiang, Q.-X.
登録日2014-02-04
公開日2014-03-05
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (9.6 Å)
主引用文献Structural basis for the prion-like MAVS filaments in antiviral innate immunity.
Elife, 3, 2014
1XHO
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BU of 1xho by Molmil
Chorismate mutase from Clostridium thermocellum Cth-682
分子名称: Chorismate mutase, UNKNOWN ATOM OR ION
著者Xu, H, Chen, L, Lee, D, Habel, J.E, Nguyen, J, Chang, S.-H, Kataeva, I, Chang, J, Zhao, M, Yang, H, Horanyi, P, Florence, Q, Tempel, W, Zhou, W, Lin, D, Zhang, H, Praissman, J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-09-20
公開日2004-11-23
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Away from the edge II: in-house Se-SAS phasing with chromium radiation.
Acta Crystallogr.,Sect.D, 61, 2005
1NLF
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BU of 1nlf by Molmil
Crystal Structure of DNA Helicase RepA in complex with sulfate at 1.95 A resolution
分子名称: Regulatory protein repA, SULFATE ION
著者Xu, H, Strater, N, Schroeder, W, Bottcher, C, Ludwig, K, Saenger, W.
登録日2003-01-07
公開日2003-04-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of DNA helicase RepA in complex with sulfate at 1.95 A resolution implicates structural changes to an "open" form.
Acta Crystallogr.,Sect.D, 59, 2003
3F5O
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Crystal Structure of hTHEM2(undecan-2-one-CoA) complex
分子名称: CHLORIDE ION, COENZYME A, HEXAETHYLENE GLYCOL, ...
著者Xu, H, Gong, W.
登録日2008-11-04
公開日2009-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The mechanisms of human hotdog-fold thioesterase 2 (hTHEM2) substrate recognition and catalysis illuminated by a structure and function based analysis
Biochemistry, 48, 2009
6N4Q
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CryoEM structure of Nav1.7 VSD2 (actived state) in complex with the gating modifier toxin ProTx2
分子名称: Beta/omega-theraphotoxin-Tp2a, Fab heavy chain, Fab light chain, ...
著者Xu, H, Rohou, A, Arthur, C.P, Estevez, A, Ciferri, C, Payandeh, J, Koth, C.M.
登録日2018-11-20
公開日2019-01-23
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin.
Cell, 176, 2019
6N4I
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Structural basis of Nav1.7 inhibition by a gating-modifier spider toxin
分子名称: Beta/omega-theraphotoxin-Tp2a, Nav1.7 VSD2-NavAb channel chimera protein, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Xu, H, Koth, C.M, Payandeh, J.
登録日2018-11-19
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.541 Å)
主引用文献Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin.
Cell, 176, 2019
6N4R
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CryoEM structure of Nav1.7 VSD2 (deactived state) in complex with the gating modifier toxin ProTx2
分子名称: Beta/omega-theraphotoxin-Tp2a, Fab heavy chain, Fab light chain, ...
著者Xu, H, Rohou, A, Arthur, C.P, Estevez, A, Ciferri, C, Payandeh, J, Koth, C.M.
登録日2018-11-20
公開日2019-01-23
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin.
Cell, 176, 2019
2CVU
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BU of 2cvu by Molmil
Structures of Yeast Ribonucleotide Reductase I
分子名称: CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J, Dealwis, C.
登録日2005-06-14
公開日2006-03-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of eukaryotic ribonucleotide reductase I provide insights into dNTP regulation
Proc.Natl.Acad.Sci.Usa, 103, 2006
2CVS
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Structures of Yeast Ribonucleotide Reductase I
分子名称: Ribonucleoside-diphosphate reductase large chain 1
著者Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J, Dealwis, C.
登録日2005-06-14
公開日2006-03-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of eukaryotic ribonucleotide reductase I provide insights into dNTP regulation
Proc.Natl.Acad.Sci.Usa, 103, 2006
2CVX
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Structures of Yeast Ribonucleotide Reductase I
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J, Dealwis, C.
登録日2005-06-14
公開日2006-03-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of eukaryotic ribonucleotide reductase I provide insights into dNTP regulation
Proc.Natl.Acad.Sci.Usa, 103, 2006
2CVV
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Structures of Yeast Ribonucleotide Reductase I
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribonucleoside-diphosphate reductase large chain 1, ...
著者Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J, Dealwis, C.
登録日2005-06-14
公開日2006-03-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of eukaryotic ribonucleotide reductase I provide insights into dNTP regulation
Proc.Natl.Acad.Sci.Usa, 103, 2006
2CVT
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Structures of Yeast Ribonucleotide Reductase I
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribonucleoside-diphosphate reductase large chain 1
著者Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J, Dealwis, C.
登録日2005-06-14
公開日2006-03-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structures of eukaryotic ribonucleotide reductase I provide insights into dNTP regulation
Proc.Natl.Acad.Sci.Usa, 103, 2006
2CVY
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Structures of Yeast Ribonucleotide Reductase I
分子名称: 9-per peptide from Ribonucleoside-diphosphate reductase small chain 1, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large chain 1, ...
著者Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J, Dealwis, C.
登録日2005-06-14
公開日2006-03-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of eukaryotic ribonucleotide reductase I provide insights into dNTP regulation
Proc.Natl.Acad.Sci.Usa, 103, 2006

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