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6IVN
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BU of 6ivn by Molmil
Crystal structure of a membrane protein G264A
分子名称: CHLORIDE ION, GLUTAMIC ACID, Ibestrophin, ...
著者Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
登録日2018-12-04
公開日2019-11-06
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
6IOM
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BU of 6iom by Molmil
Crystal structure of human C4.4A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ly6/PLAUR domain-containing protein 3
著者Huang, M.D, Jiang, Y.B, Yuan, C, Lin, L.
登録日2018-10-30
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.594 Å)
主引用文献Crystal Structures of Human C4.4A Reveal the Unique Association of Ly6/uPAR/alpha-neurotoxin Domain
Int J Biol Sci, 16, 2020
6IVL
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BU of 6ivl by Molmil
Crystal structure of a membrane protein L259A
分子名称: ACETIC ACID, CHLORIDE ION, Ibestrophin, ...
著者Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
登録日2018-12-04
公開日2019-11-06
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
6IVJ
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BU of 6ivj by Molmil
Crystal structure of a membrane protein G18A
分子名称: ACETIC ACID, CHLORIDE ION, Ibestrophin, ...
著者Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
登録日2018-12-04
公開日2019-11-06
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
3O64
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BU of 3o64 by Molmil
Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Based Tartrate Diamides
分子名称: (2R,3R)-2,3-dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide, CALCIUM ION, ISOPROPYL ALCOHOL, ...
著者Orth, P.
登録日2010-07-28
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献2-(2-Aminothiazol-4-yl)pyrrolidine-based tartrate diamides as potent, selective and orally bioavailable TACE inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
2IO8
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BU of 2io8 by Molmil
E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, CYSTEINE, ...
著者Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H.
登録日2006-10-10
公開日2006-12-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
2IOA
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BU of 2ioa by Molmil
E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ and ADP and phosphinate inhibitor
分子名称: ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, D-GAMMA-GLUTAMYL-N-{[(R)-{4-[(4-AMINOBUTYL)AMINO]BUTYL}(PHOSPHONOOXY)PHOSPHORYL]METHYL}-D-ALANINAMIDE, ...
著者Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H.
登録日2006-10-10
公開日2006-12-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
2IO9
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BU of 2io9 by Molmil
E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ ,GSH and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, GLUTATHIONE, ...
著者Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H.
登録日2006-10-10
公開日2006-12-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
2IO7
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BU of 2io7 by Molmil
E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ and AMPPNP
分子名称: Bifunctional glutathionylspermidine synthetase/amidase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Pai, C.H, Chiang, B.Y, Ko, T.P, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H.
登録日2006-10-10
公開日2006-12-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
2IOB
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BU of 2iob by Molmil
E. coli Bifunctional glutathionylspermidine synthetase/amidase Apo protein
分子名称: Bifunctional glutathionylspermidine synthetase/amidase
著者Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H.
登録日2006-10-10
公開日2006-12-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
5BS4
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BU of 5bs4 by Molmil
HIV-1 wild Type protease with GRL-047-11A (a methylamine bis-Tetrahydrofuran P2-Ligand, 4-amino sulfonamide derivative)
分子名称: (3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ...
著者Wang, Y.-F, Agniswamy, J, Weber, I.T.
登録日2015-06-01
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies.
J.Med.Chem., 58, 2015
5BNX
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BU of 5bnx by Molmil
Crystal structure of Human MCM2 HBD and ASF1b chaperoning a histone H3.3-H4 dimer
分子名称: DNA replication licensing factor MCM2, GLYCEROL, Histone H3.3, ...
著者Huang, H, Patel, D.J.
登録日2015-05-26
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.305 Å)
主引用文献A unique binding mode enables MCM2 to chaperone histones H3-H4 at replication forks.
Nat.Struct.Mol.Biol., 22, 2015
5BRY
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BU of 5bry by Molmil
HIV-1 wild Type protease with GRL-011-11A (a methylamine bis-Tetrahydrofuran P2-Ligand, sulfonamide isostere derivate)
分子名称: (3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Protease, ...
著者Wang, Y.-F, Agniswamy, J, Weber, I.T.
登録日2015-06-01
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies.
J.Med.Chem., 58, 2015
5Z2S
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BU of 5z2s by Molmil
Crystal structure of DUX4-HD2 domain
分子名称: Double homeobox protein 4
著者Dong, X, Zhang, W, Wu, H, Huang, J, Zhang, M, Wang, P, Zhang, H, Chen, Z, Chen, S, Meng, G.
登録日2018-01-03
公開日2018-04-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of DUX4/IGH-driven transactivation.
Leukemia, 32, 2018
5BO0
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BU of 5bo0 by Molmil
Crystal structure of Human MCM2 HBD and ASF1b chaperoning a histone H3.2-H4 dimer
分子名称: DNA replication licensing factor MCM2, GLYCEROL, Histone H3.2, ...
著者Huang, H, Patel, D.J.
登録日2015-05-26
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.906 Å)
主引用文献A unique binding mode enables MCM2 to chaperone histones H3-H4 at replication forks.
Nat.Struct.Mol.Biol., 22, 2015
5BNV
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BU of 5bnv by Molmil
Crystal structure of Human MCM2 HBD chaperoning a histone H3-H4 tetramer
分子名称: DNA replication licensing factor MCM2, Histone H3.3, Histone H4, ...
著者Huang, H, Patel, D.J.
登録日2015-05-26
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.795 Å)
主引用文献A unique binding mode enables MCM2 to chaperone histones H3-H4 at replication forks.
Nat.Struct.Mol.Biol., 22, 2015
5Z2T
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BU of 5z2t by Molmil
Crystal structure of DNA-bound DUX4-HD2
分子名称: 5'-D(*TP*TP*CP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*TP*T)-3', 5'-D(P*AP*AP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*GP*T)-3', Double homeobox protein 4
著者Dong, X, Zhang, W, Wu, H, Huang, J, Zhang, M, Wang, P, Zhang, H, Chen, Z, Chen, S, Meng, G.
登録日2018-01-04
公開日2018-04-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.623 Å)
主引用文献Structural basis of DUX4/IGH-driven transactivation.
Leukemia, 32, 2018
5CJX
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BU of 5cjx by Molmil
Crystal structure of 8ANC195 Fab in complex with BG505 SOSIP.664 HIV-1 Env trimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 G52K5 heavy chain, ...
著者Scharf, L, Bjorkman, P.J.
登録日2015-07-15
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.584 Å)
主引用文献Broadly Neutralizing Antibody 8ANC195 Recognizes Closed and Open States of HIV-1 Env.
Cell, 162, 2015
5DW0
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TrpB from Pyrococcus furiosus with L-serine bound as the external aldimine
分子名称: SODIUM ION, Tryptophan synthase beta chain 1, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
著者Buller, A.R, Arnold, F.H.
登録日2015-09-22
公開日2015-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
5DW3
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BU of 5dw3 by Molmil
Tryptophan Synthase beta-subunit from Pyrococcus furiosus with product L-tryptophan non-covalently bound in the active site
分子名称: PHOSPHATE ION, SODIUM ION, TRYPTOPHAN, ...
著者Buller, A.R, Arnold, F.H.
登録日2015-09-22
公開日2015-11-11
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
5DVZ
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BU of 5dvz by Molmil
Holo TrpB from Pyrococcus furiosus
分子名称: PHOSPHATE ION, SODIUM ION, Tryptophan synthase beta chain 1
著者Buller, A.R, Arnold, F.H.
登録日2015-09-21
公開日2016-02-03
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
5E0K
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BU of 5e0k by Molmil
X-ray crystal structure of tryptophan synthase complex from Pyrococcus furiosus at 2.76 A
分子名称: PHOSPHATE ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain 1
著者Buller, A.R, Murciano-Calles, J, Arnold, F.H.
登録日2015-09-29
公開日2015-11-11
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
5GIX
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BU of 5gix by Molmil
Human serum albumin-Palmitic acid-Fe(Hn3piT)Cl2
分子名称: 14-piperidin-1-yl-11-oxa-13$l^{3}-thia-15,16$l^{4}-diaza-12$l^{3}-ferratetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,8,13,16-heptaene, PALMITIC ACID, Serum albumin
著者Yang, F, Qi, J, Wang, T.
登録日2016-06-25
公開日2017-07-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Developing Anticancer Ferric Prodrugs Based on the N-Donor Residues of Human Serum Albumin Carrier IIA Subdomain
J. Med. Chem., 59, 2016
5HYN
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BU of 5hyn by Molmil
Structure of Human Polycomb Repressive Complex 2 (PRC2) with oncogenic histone H3K27M peptide
分子名称: H3K27M, Histone-lysine N-methyltransferase EZH2, JARID2 K116me3, ...
著者Zhang, Y, Justin, N, Wilson, J.R, Gamblin, S.J.
登録日2016-02-01
公開日2016-05-11
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural basis of oncogenic histone H3K27M inhibition of human polycomb repressive complex 2.
Nat Commun, 7, 2016
5I7U
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BU of 5i7u by Molmil
Human DPP4 in complex with a novel tricyclic hetero-cycle inhibitor
分子名称: 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2016-02-18
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of Novel Tricyclic Heterocycles as Potent and Selective DPP-4 Inhibitors for the Treatment of Type 2 Diabetes.
Acs Med.Chem.Lett., 7, 2016

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