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7R48
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Bovine complex I in the presence of IM1761092, deactive class iv (Composite map)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
著者Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
登録日2022-02-08
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R4C
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BU of 7r4c by Molmil
Bovine complex I in the presence of IM1761092, deactive class v (Composite map)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
著者Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
登録日2022-02-08
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R4F
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BU of 7r4f by Molmil
Bovine complex I in the presence of IM1761092, slack class i (Composite map)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
著者Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
登録日2022-02-08
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R4G
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BU of 7r4g by Molmil
Bovine complex I in the presence of IM1761092, slack class ii (Composite map)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
著者Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
登録日2022-02-08
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
6WQA
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BU of 6wqa by Molmil
2.0A angstrom A2a adenosine receptor structure using XFEL data collected in helium atmosphere.
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
著者Lee, M.-Y, Geiger, J, Ishchenko, A, Han, G.W, Barty, A, White, T.A, Gati, C, Batyuk, A, Hunter, M.S, Aquila, A, Boutet, S, Weierstall, U, Cherezov, V, Liu, W.
登録日2020-04-28
公開日2020-11-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase
Iucrj, 7, 2020
1EVE
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BU of 1eve by Molmil
THREE DIMENSIONAL STRUCTURE OF THE ANTI-ALZHEIMER DRUG, E2020 (ARICEPT), COMPLEXED WITH ITS TARGET ACETYLCHOLINESTERASE
分子名称: 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, 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Kryger, G, Silman, I, Sussman, J.L.
登録日1998-03-04
公開日1999-01-20
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of acetylcholinesterase complexed with E2020 (Aricept): implications for the design of new anti-Alzheimer drugs.
Structure Fold.Des., 7, 1999
1EKF
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BU of 1ekf by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL) COMPLEXED WITH PYRIDOXAL-5'-PHOSPHATE AT 1.95 ANGSTROMS (ORTHORHOMBIC FORM)
分子名称: BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL), PYRIDOXAL-5'-PHOSPHATE
著者Yennawar, N.H, Dunbar, J.H, Conway, M, Hutson, S.M, Farber, G.K.
登録日2000-03-08
公開日2001-03-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The structure of human mitochondrial branched-chain aminotransferase.
Acta Crystallogr.,Sect.D, 57, 2001
1J52
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BU of 1j52 by Molmil
Recombinant sperm whale myoglobin in the presence of 7atm xenon
分子名称: PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, XENON, ...
著者Liong, E.C, Phillips Jr, G.N.
登録日2002-01-08
公開日2003-11-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Internal Cavities in Myoglobin: Implications for Protein Action
To be Published
1H2R
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BU of 1h2r by Molmil
THREE-DIMENSIONAL STRUCTURE OF NI-FE HYDROGENASE FROM DESULFIVIBRIO VULGARIS MIYAZAKI F IN THE REDUCED FORM AT 1.4 A RESOLUTION
分子名称: FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Higuchi, Y, Ogata, H.
登録日1999-06-14
公開日2000-01-05
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Removal of the bridging ligand atom at the Ni-Fe active site of [NiFe] hydrogenase upon reduction with H2, as revealed by X-ray structure analysis at 1.4 A resolution.
Structure Fold.Des., 7, 1999
8TDJ
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BU of 8tdj by Molmil
Cryo-EM structure of the wild-type AtMSL10 in GDN
分子名称: Mechanosensitive ion channel protein 10
著者Zhang, J, Yuan, P.
登録日2023-07-03
公開日2023-10-18
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Open structure and gating of the Arabidopsis mechanosensitive ion channel MSL10.
Nat Commun, 14, 2023
1SFE
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BU of 1sfe by Molmil
ADA O6-METHYLGUANINE-DNA METHYLTRANSFERASE FROM ESCHERICHIA COLI
分子名称: ADA O6-METHYLGUANINE-DNA METHYLTRANSFERASE
著者Moore, M.H, Gulbis, J.M, Dodson, E.J, Demple, B, Moody, P.C.E.
登録日1996-06-21
公開日1996-12-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a suicidal DNA repair protein: the Ada O6-methylguanine-DNA methyltransferase from E. coli.
EMBO J., 13, 1994
1TYP
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BU of 1typ by Molmil
SUBSTRATE INTERACTIONS BETWEEN TRYPANOTHIONE REDUCTASE AND N1-GLUTATHIONYLSPERMIDINE DISULPHIDE AT 0.28-NM RESOLUTION
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Bailey, S, Hunter, W.N.
登録日1992-06-29
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Substrate interactions between trypanothione reductase and N1-glutathionylspermidine disulphide at 0.28-nm resolution.
Eur.J.Biochem., 213, 1993
1VOT
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BU of 1vot by Molmil
ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH HUPERZINE A
分子名称: ACETYLCHOLINESTERASE, Huperzine A
著者Raves, M.L, Harel, M, Silman, I, Sussman, J.L.
登録日1996-06-23
公開日1997-06-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A.
Nat.Struct.Biol., 4, 1997
1WUT
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BU of 1wut by Molmil
Acyl Ureas as Human Liver Glycogen Phosphorylase Inhibitors for the Treatment of Type 2 Diabetes
分子名称: 7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID, Glycogen phosphorylase, muscle form, ...
著者Klabunde, T, Wendt, K.U, Kadereit, D, Brachvogel, V, Burger, H.-J, Herling, A.W, Oikonomakos, N.G, Kosmopoulou, M.N, Schmoll, D, Sarubbi, E, von Roedern, E, Schonafinger, K, Defossa, E.
登録日2004-12-08
公開日2005-12-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs
Protein Sci., 14, 2005
1WV0
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BU of 1wv0 by Molmil
Crystallographic studies on acyl ureas, a new class of inhibitors of glycogen phosphorylase. Broad specificity of the allosteric site
分子名称: 4-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2,3-DIMETHYLPHENOXY]BUTANOIC ACID, Glycogen phosphorylase, muscle form, ...
著者Oikonomakos, N.G, Kosmopoulou, M.N, Chrysina, E.D, Leonidas, D.D, Klabunde, T, Wendt, K.U, Defossa, E.
登録日2004-12-10
公開日2005-12-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs
Protein Sci., 14, 2005
1WV1
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BU of 1wv1 by Molmil
Crystallographic studies on acyl ureas, a new class of inhibitors of glycogenphosphorylase. Broad specificity of the allosteric site
分子名称: 5-[3-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2-METHYLPHENOXY]PENTANOIC ACID, Glycogen phosphorylase, muscle form, ...
著者Oikonomakos, N.G, Kosmopoulou, M.N, Chrysina, E.D, Leonidas, D.D, Klabunde, T, Wendt, K.U, Defossa, E.
登録日2004-12-10
公開日2005-12-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs
Protein Sci., 14, 2005
1WUY
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BU of 1wuy by Molmil
Crystallographic studies on acyl ureas, a new class of inhibitors of glycogen phosphorylase. Broad specificity of the allosteric site
分子名称: 4-[3-CHLORO-4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]BUTANOIC ACID, Glycogen phosphorylase, muscle form, ...
著者Oikonomakos, N.G, Kosmopoulou, M.N, Chrysina, E.D, Leonidas, D.D, Klabunde, T, Wendt, K.U, Defossa, E.
登録日2004-12-09
公開日2005-12-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs
Protein Sci., 14, 2005
8IYB
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BU of 8iyb by Molmil
Structure insight into substrate recognition and catalysis by feruloyl esterase from Aspergillus sydowii
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ...
著者Phienluphon, A, Kondo, K, Mikami, B, Nagata, T, Katahira, M.
登録日2023-04-04
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural insights into the molecular mechanisms of substrate recognition and hydrolysis by feruloyl esterase from Aspergillus sydowii.
Int.J.Biol.Macromol., 253, 2023
8IYC
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BU of 8iyc by Molmil
Structure insight into substrate recognition and catalysis by feruloyl esterase from Aspergillus sydowii
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Phienluphon, A, Kondo, K, Mikami, B, Nagata, T, Katahira, M.
登録日2023-04-04
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural insights into the molecular mechanisms of substrate recognition and hydrolysis by feruloyl esterase from Aspergillus sydowii.
Int.J.Biol.Macromol., 253, 2023
3ATL
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BU of 3atl by Molmil
Crystal structure of trypsin complexed with benzamidine
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2011-01-05
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
2YAT
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BU of 2yat by Molmil
Crystal structure of estradiol derived metal chelate and estrogen receptor-ligand binding domain complex
分子名称: ESTRADIOL-PYRIDINIUM TETRAACETIC ACID, ESTROGEN RECEPTOR, EUROPIUM ION, ...
著者Li, M.J, Greenblatt, H.M, Dym, O, Albeck, S, Degani, H, Sussman, J.L.
登録日2011-02-24
公開日2011-06-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Structure of Estradiol Metal Chelate and Estrogen Receptor Complex: The Basis for Designing a New Class of Selective Estrogen Receptor Modulators.
J.Med.Chem., 54, 2011
7NWA
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BU of 7nwa by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND COMPOUND A
分子名称: 2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
著者Hillig, R.C.
登録日2021-03-16
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
2ERA
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BU of 2era by Molmil
RECOMBINANT ERABUTOXIN A, S8G MUTANT
分子名称: ERABUTOXIN A
著者Gaucher, J.F, Menez, R, Arnoux, B, Menez, A, Ducruix, A.
登録日1997-06-25
公開日1997-12-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献High resolution x-ray analysis of two mutants of a curaremimetic snake toxin
Eur.J.Biochem., 267, 2000
3ATI
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BU of 3ati by Molmil
Crystal structure of trypsin complexed with (3-methoxyphenyl)methanamine
分子名称: 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2011-01-05
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
1BP1
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BU of 1bp1 by Molmil
CRYSTAL STRUCTURE OF BPI, THE HUMAN BACTERICIDAL PERMEABILITY-INCREASING PROTEIN
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERICIDAL/PERMEABILITY-INCREASING PROTEIN
著者Beamer, L.J, Carroll, S.F, Eisenberg, D.
登録日1997-04-08
公開日1997-09-04
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of human BPI and two bound phospholipids at 2.4 angstrom resolution.
Science, 276, 1997

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