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3BJ3
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BU of 3bj3 by Molmil
met-Perch hemoglobin at pH 8.0
分子名称: ACETYL GROUP, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha, ...
著者Aranda IV, R, Cai, H, Levin, E.J, Richards, M.P, Phillips Jr, G.N.
登録日2007-12-02
公開日2008-09-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
1H69
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BU of 1h69 by Molmil
CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE CO WITH 2,3,5,6,TETRAMETHYL-P-BENZOQUINONE (DUROQUINONE) AT 2.5 ANGSTROM RESOLUTION
分子名称: 3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1
著者Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M.
登録日2001-06-08
公開日2001-09-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure-Based Development of Anticancer Drugs: Complexes of Nad(P)H:Quinone Oxidoreductase 1 with Chemotherapeutic Quinones
Structure, 9, 2001
1H66
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BU of 1h66 by Molmil
CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE CO WITH 2,5-diaziridinyl-3-hydroxyl-6-methyl-1,4-benzoquinone
分子名称: 2,5-DIAZIRIDIN-1-YL-3-(HYDROXYMETHYL)-6-METHYLCYCLOHEXA-2,5-DIENE-1,4-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1
著者Faig, M, Bianchet, M.A, Winski, S, Ross, D, Amzel, L.M.
登録日2001-06-06
公開日2001-09-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Development of Anticancer Drugs: Complexes of Nad(P)H:Quinone Oxidoreductase 1 with Chemotherapeutic Quinones
Structure, 9, 2001
3JAC
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BU of 3jac by Molmil
Cryo-EM study of a channel
分子名称: Piezo-type mechanosensitive ion channel component 1
著者Ge, J, Li, W, Zhao, Q, Li, N, Xiao, B, Gao, N, Yang, M.
登録日2015-06-05
公開日2015-09-23
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Architecture of the mammalian mechanosensitive Piezo1 channel
Nature, 527, 2015
4UAI
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BU of 4uai by Molmil
Crystal structure of CXCL12 in complex with inhibitor
分子名称: 1-phenyl-3-[4-(1H-tetrazol-5-yl)phenyl]urea, SULFATE ION, Stromal cell-derived factor 1
著者Smith, E.W, Chen, Y.
登録日2014-08-09
公開日2014-11-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Analysis of a Novel Small Molecule Ligand Bound to the CXCL12 Chemokine.
J.Med.Chem., 57, 2014
1QBS
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BU of 1qbs by Molmil
HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY
分子名称: HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
著者Ala, P, Chang, C.-H.
登録日1997-04-25
公開日1997-10-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cyclic HIV protease inhibitors: synthesis, conformational analysis, P2/P2' structure-activity relationship, and molecular recognition of cyclic ureas.
J.Med.Chem., 39, 1996
6AXQ
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BU of 6axq by Molmil
CREBBP bromodomain in complex with Cpd6 (methyl 1H-indole-3-carboxylate)
分子名称: CREB-binding protein, DIMETHYL SULFOXIDE, methyl 1H-indole-3-carboxylate
著者Murray, J.M, Jayaram, H.
登録日2017-09-07
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6AY5
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BU of 6ay5 by Molmil
CREBBP bromodomain in complex with Cpd17 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-3-methylbenzo[d]thiazol-2(3H)-one)
分子名称: 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
著者Murray, J.M.
登録日2017-09-07
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6AY3
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BU of 6ay3 by Molmil
CREBBP bromodomain in complex with Cpd16 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1H-indole-3-carboxamide)
分子名称: 1,2-ETHANEDIOL, 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide, CREB-binding protein, ...
著者Murray, J.M.
登録日2017-09-07
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
8HYD
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BU of 8hyd by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(2-(thiophen-2-yl)ethyl)thiazole-4-carboxylic acid
分子名称: 2-azanyl-5-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
著者Yan, Y.-H, Zhu, K.-R, Li, G.-B.
登録日2023-01-06
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
6LW2
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BU of 6lw2 by Molmil
The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase
分子名称: 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1
著者Wang, X.Y, Zhou, J, Xu, B.L.
登録日2020-02-07
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis.
J.Med.Chem., 63, 2020
8JAO
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BU of 8jao by Molmil
Crystal structure of B1 IMP-1 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid
分子名称: 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase, ZINC ION
著者Yan, Y.-H, Li, G.-B.
登録日2023-05-06
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
2R1H
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BU of 2r1h by Molmil
met-Trout IV hemoglobin at pH 6.3
分子名称: 1,2-ETHANEDIOL, Hemoglobin subunit alpha-4, Hemoglobin subunit beta-4, ...
著者Aranda IV, R, Worley, C.E, Richards, M.P, Phillips Jr, G.N.
登録日2007-08-22
公開日2008-09-02
最終更新日2013-01-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
4RAX
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BU of 4rax by Molmil
A regulatory domain of an ion channel
分子名称: Piezo-type mechanosensitive ion channel component 1
著者Ge, J, Yang, M.
登録日2014-09-11
公開日2015-09-23
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Architecture of the mammalian mechanosensitive Piezo1 channel.
Nature, 527, 2015
7XDA
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BU of 7xda by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7208 and BA7125 fab (local refinement)
分子名称: BA7125 fab, BA7208 fab, Spike glycoprotein
著者Liu, Z, Liu, S, Liu, S.
登録日2022-03-26
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDB
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BU of 7xdb by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 fab
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, BA7208 fab, ...
著者Liu, Z, Liu, S, Gao, Y.Z.
登録日2022-03-26
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (2.62 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XCZ
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BU of 7xcz by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7054 and BA7125 fab (local refinement)
分子名称: BA7054 fab, BA7125 fab, Spike glycoprotein
著者Liu, Z, Liu, S.
登録日2022-03-26
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDK
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BU of 7xdk by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 fab
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, BA7054 fab, ...
著者Liu, Z, Lui, S, Gao, Y.
登録日2022-03-27
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDL
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BU of 7xdl by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7208 and BA7125 fab
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, BA7125 fab, ...
著者Liu, Z, Liu, S, Yuanzhu, G.
登録日2022-03-27
公開日2023-03-15
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
8HEQ
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BU of 8heq by Molmil
Solution structure of the periplasmic domain of the anti-sigma factor RsgI2 from Clostridium thermocellum
分子名称: Anti-sigma-I factor RsgI2
著者Chen, C, Feng, Y.
登録日2022-11-08
公開日2023-05-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Essential autoproteolysis of bacterial anti-sigma factor RsgI for transmembrane signal transduction.
Sci Adv, 9, 2023
8HER
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BU of 8her by Molmil
Solution structure of the periplasmic domain of RsgI6 from Clostridium thermocellum
分子名称: Anti-sigma factor
著者Chen, C, Feng, Y.
登録日2022-11-08
公開日2023-05-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Essential autoproteolysis of bacterial anti-sigma factor RsgI for transmembrane signal transduction.
Sci Adv, 9, 2023
8HDJ
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BU of 8hdj by Molmil
Periplasmic domain of RsgI2 of Clostridium thermocellum
分子名称: Anti-sigma-I factor RsgI2, Periplasmic domain of RsgI2
著者Chen, C, Dong, S, Feng, Y.G.
登録日2022-11-04
公開日2023-05-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Essential autoproteolysis of bacterial anti-sigma factor RsgI for transmembrane signal transduction.
Sci Adv, 9, 2023
8HEP
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BU of 8hep by Molmil
Solution structure of the periplasmic domain of the anti-sigma factor RsgI1 from Clostridium thermocellum
分子名称: Anti-sigma factor
著者Chen, C, Feng, Y.
登録日2022-11-08
公開日2023-05-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Essential autoproteolysis of bacterial anti-sigma factor RsgI for transmembrane signal transduction.
Sci Adv, 9, 2023
4MZD
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BU of 4mzd by Molmil
High resolution crystal structure of the nisin leader peptidase NisP from Lactococcus lactis
分子名称: Nisin leader peptide-processing serine protease NisP
著者Rao, Z.H, Xu, Y.Y, Li, X, Yang, W.
登録日2013-09-30
公開日2014-06-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure of the nisin leader peptidase NisP revealing a C-terminal autocleavage activity.
Acta Crystallogr.,Sect.D, 70, 2014
2ICK
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BU of 2ick by Molmil
Human isopentenyl diphophate isomerase complexed with substrate analog
分子名称: DIMETHYLALLYL DIPHOSPHATE, Isopentenyl-diphosphate delta isomerase, MANGANESE (II) ION
著者Zheng, W, Bartlam, M, Rao, Z.
登録日2006-09-12
公開日2007-03-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The crystal structure of human isopentenyl diphosphate isomerase at 1.7 A resolution reveals its catalytic mechanism in isoprenoid biosynthesis
J.Mol.Biol., 366, 2007

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