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3CGT
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BU of 3cgt by Molmil
STRUCTURE OF CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED WITH ITS MAIN PRODUCT BETA-CYCLODEXTRIN
分子名称: CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, Cycloheptakis-(1-4)-(alpha-D-glucopyranose)
著者Schmidt, A.K, Schulz, G.E.
登録日1998-01-22
公開日1998-05-27
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of cyclodextrin glycosyltransferase complexed with a derivative of its main product beta-cyclodextrin.
Biochemistry, 37, 1998
7KP9
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asymmetric hTNF-alpha
分子名称: 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole, Tumor necrosis factor
著者Arakaki, T.L, Abendroth, J, Fairman, J.W, Foley, A, Ceska, T.
登録日2020-11-10
公開日2021-01-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF.
Nat Commun, 12, 2021
7KP8
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BU of 7kp8 by Molmil
asymmetric mTNF-alpha hTNFR1 complex
分子名称: 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole, Tumor necrosis factor, Tumor necrosis factor receptor superfamily member 1A
著者Arakaki, T.L, Fox III, D, Edwards, T.E, Foley, A, Ceska, T.
登録日2020-11-10
公開日2021-01-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF.
Nat Commun, 12, 2021
8DN1
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Q108K:K40L:T51C:T53A:R58L:Q38F:Q4F mutant of hCRBPII bound to synthetic fluorophore CM1V at pH 7.2
分子名称: (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form, GLYCEROL, ...
著者Bingham, C.R, Borhan, B, Geiger, J.H.
登録日2022-07-10
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins.
Analyst, 148, 2023
8D6H
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BU of 8d6h by Molmil
Q108K:K40L:T51C:T53A:R58L:Q38F:Q4F mutant of hCRBPII bound to synthetic fluorophore CM1V after UV irradiation
分子名称: (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form, ACETATE ION, ...
著者Bingham, C.R, Geiger, J.H, Borhan, B.
登録日2022-06-06
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins.
Analyst, 148, 2023
8D6N
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BU of 8d6n by Molmil
Q108K:K40L:T53A:R58L:Q38F:Q4F mutant of hCRBPII bound to synthetic fluorophore CM1V
分子名称: (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form, ACETATE ION, ...
著者Bingham, C.R, Geiger, J.H, Borhan, B.
登録日2022-06-06
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins.
Analyst, 148, 2023
8DB2
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Q108K:K40L:T51C:T53A:R58L:Q38F mutant of hCRBPII bound to synthetic fluorophore CM1V
分子名称: (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form, Retinol-binding protein 2
著者Bingham, C.R, Geiger, J.H, Borhan, B, Staples, R.
登録日2022-06-14
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins.
Analyst, 148, 2023
8D6L
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Q108K:K40L:T51C:T53A:R58L:Q38F:Q4F mutant of hCRBPII bound to synthetic fluorophore CM1V
分子名称: (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form, GLYCEROL, ...
著者Bingham, C.R, Geiger, J.H, Borhan, B.
登録日2022-06-06
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins.
Analyst, 148, 2023
1RV1
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BU of 1rv1 by Molmil
CRYSTAL STRUCTURE OF HUMAN MDM2 WITH AN IMIDAZOLINE INHIBITOR
分子名称: CIS-[4,5-BIS-(4-BROMOPHENYL)-2-(2-ETHOXY-4-METHOXYPHENYL)-4,5-DIHYDROIMIDAZOL-1-YL]-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]METHANONE, Ubiquitin-protein ligase E3 Mdm2
著者Lukacs, C, Kammlott, U, Graves, B.
登録日2003-12-12
公開日2004-01-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献In vivo activation of the p53 pathway by small-molecule antagonists of MDM2.
Science, 303, 2004
3NBP
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BU of 3nbp by Molmil
HIV-1 reverse transcriptase with aminopyrimidine inhibitor 2
分子名称: 4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ...
著者Harris, S.F, Villasenor, A.G.
登録日2010-06-03
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses.
Bioorg.Med.Chem.Lett., 20, 2010
6E51
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BU of 6e51 by Molmil
Crystal structure of the apo domain-swapped dimer Q108K:K40L:T51W mutant of human cellular retinol binding protein II
分子名称: Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2018-07-19
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.256 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6E50
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BU of 6e50 by Molmil
Crystal structure of the apo domain-swapped dimer Q108K:K40L:T51F mutant of human Cellular Retinol Binding Protein II
分子名称: ACETATE ION, Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2018-07-18
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.965 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6E5E
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BU of 6e5e by Molmil
Crystal structure of the apo domain-swapped dimer Q108K:T51D mutant of human cellular retinol binding protein II
分子名称: ACETATE ION, Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2018-07-20
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6E5Q
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BU of 6e5q by Molmil
Crystal structure of the apo domain-swapped dimer Q108K:T51D:A28H mutant of human Cellular Retinol Binding Protein II
分子名称: ACETATE ION, Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2018-07-21
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
5CGT
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BU of 5cgt by Molmil
MALTOTRIOSE COMPLEX OF PRECONDITIONED CYCLODEXTRIN GLYCOSYLTRANSFERASE MUTANT
分子名称: CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, alpha-D-glucopyranose, ...
著者Parsiegla, G, Schulz, G.E.
登録日1998-06-06
公開日1998-08-12
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Substrate binding to a cyclodextrin glycosyltransferase and mutations increasing the gamma-cyclodextrin production.
Eur.J.Biochem., 255, 1998
6E6L
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BU of 6e6l by Molmil
Crystal structure of the holo retinal-bound domain-swapped dimer Q108K:K40L:T51F:Y60A mutant of human cellular retinol binding protein II
分子名称: ACETATE ION, RETINAL, Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2018-07-25
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6E7M
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BU of 6e7m by Molmil
Crystal structure of the holo retinal-bound domain-swapped dimer Q108K:T51D:A28C mutant of human Cellular Retinol Binding Protein II
分子名称: ACETATE ION, GLYCEROL, RETINAL, ...
著者Ghanbarpour, A, Geiger, J.
登録日2018-07-26
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6E5R
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BU of 6e5r by Molmil
Crystal structure of the apo domain-swapped dimer Q108K:T51D:A28C mutant of human Cellular Retinol Binding Protein II
分子名称: ACETATE ION, GLYCEROL, Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2018-07-22
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.592 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6E5S
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BU of 6e5s by Molmil
Crystal structure of holo retinal-bound domain-swapped dimer Q108K:T51D mutant of human Cellular Retinol Binding Protein II
分子名称: RETINAL, Retinol-binding protein 2
著者Nosrati, M, Ghanbarpour, A, Geiger, J.
登録日2018-07-22
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.061 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
5DPQ
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BU of 5dpq by Molmil
Crystal Structure of E72A mutant of domain swapped dimer Human Cellular Retinol Binding Protein
分子名称: ACETATE ION, Retinol-binding protein 2
著者Assar, Z, Nossoni, Z, Wang, W, Geiger, J.H, Borhan, B.
登録日2015-09-14
公開日2016-09-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.775 Å)
主引用文献Domain-Swapped Dimers of Intracellular Lipid-Binding Proteins: Evidence for Ordered Folding Intermediates.
Structure, 24, 2016
7CGT
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RAMEB COMPLEX OF CYCLODEXTRIN GLYCOSYLTRANSFERASE MUTANT
分子名称: CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE
著者Parsiegla, G, Schulz, G.E.
登録日1998-06-06
公開日1998-08-12
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Substrate binding to a cyclodextrin glycosyltransferase and mutations increasing the gamma-cyclodextrin production.
Eur.J.Biochem., 255, 1998
6MR0
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BU of 6mr0 by Molmil
Crystal Structure of the All-trans Retinal Bound R111K:Y134F:T54V:R132Q:P39Q:R59Y:L121E Human Cellular Retinoic Acid Binding Protein II Mutant After 5 Minutes UV irradiation at 2.6 Angstrom Resolution
分子名称: Cellular retinoic acid-binding protein 2, RETINAL
著者Ghanbarpour, A, Geiger, J.
登録日2018-10-11
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.649 Å)
主引用文献Mimicking Microbial Rhodopsin Isomerization in a Single Crystal.
J. Am. Chem. Soc., 141, 2019
6MOX
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BU of 6mox by Molmil
Crystal Structure of the All-trans Retinal-Bound R111K:Y134F:T54V:R132Q:P39Q:R59Y:L121E Human Cellular Retinoic Acid Binding Protein II Mutant in the Dark at 2.18 Angstrom Resolution
分子名称: Cellular retinoic acid-binding protein 2, RETINAL
著者Ghanbarpour, A, Geiger, J.
登録日2018-10-04
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Mimicking Microbial Rhodopsin Isomerization in a Single Crystal.
J. Am. Chem. Soc., 141, 2019
6MVP
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HCV NS5B 1b N316 bound to Compound 18
分子名称: (4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid, Genome polyprotein
著者Williams, S.P, Kahler, K, Price, D.J, Peat, A.J.
登録日2018-10-26
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019
6MVO
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HCV NS5B 1A Y316 bound to Compound 49
分子名称: 6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, SULFATE ION
著者Williams, S.P, Kahler, K, Price, D.J, Peat, A.J.
登録日2018-10-26
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019

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