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3IMU
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Transthyretin in complex with (E)-4-(3-aminostyryl)-2,6-dibromoaniline
分子名称: 4-[(E)-2-(3-aminophenyl)ethenyl]-2,6-dibromoaniline, Transthyretin
著者Connelly, S, Wilson, I.A.
登録日2009-08-11
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity.
J.Am.Chem.Soc., 132, 2010
1OED
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BU of 1oed by Molmil
STRUCTURE OF ACETYLCHOLINE RECEPTOR PORE FROM ELECTRON IMAGES
分子名称: Acetylcholine receptor beta subunit, Acetylcholine receptor delta subunit, Acetylcholine receptor gamma subunit, ...
著者Miyazawa, A, Fujiyoshi, Y, Unwin, N.
登録日2003-03-24
公開日2003-06-26
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure and Gating Mechanism of the Acetylcholine Receptor Pore.
Nature, 423, 2003
1X1Y
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BU of 1x1y by Molmil
Water-mediate interaction at aprotein-protein interface
分子名称: Barstar, Ribonuclease
著者Ikura, T, Urakubo, Y, Ito, N.
登録日2005-04-15
公開日2005-04-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Water-mediated interaction at a protein-protein interface
Chem.Phys., 307, 2004
1X1U
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Water-mediate interaction at aprotein-protein interface
分子名称: Barstar, Ribonuclease
著者Ikura, T, Urakubo, Y, Ito, N.
登録日2005-04-13
公開日2005-04-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Water-mediated interaction at a protein-protein interface
Chem.Phys., 307, 2004
2IDS
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BU of 2ids by Molmil
Structure of M98A mutant of amicyanin, Cu(I)
分子名称: Amicyanin, COPPER (I) ION
著者Carrell, C.J, Ma, J.K, Antholine, W, Hosler, J.P, Mathews, F.S, Davidson, V.L.
登録日2006-09-15
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Generation of Novel Copper Sites by Mutation of the Axial Ligand of Amicyanin. Atomic Resolution Structures and Spectroscopic Properties
Biochemistry, 46, 2007
3VX0
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BU of 3vx0 by Molmil
Crystal Structure of alpha-amylase from Aspergillus oryzae
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase A type-1/2, CALCIUM ION, ...
著者Sugahara, M.
登録日2012-09-06
公開日2013-09-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of alpha-amylase from Aspergillus oryzae
To be Published
1SUC
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BU of 1suc by Molmil
CALCIUM-INDEPENDENT SUBTILISIN BY DESIGN
分子名称: ACETONE, POTASSIUM ION, SUBTILISIN BPN' CRB-S3
著者Gallagher, T, Bryan, P, Gilliland, G.L.
登録日1992-06-10
公開日1994-01-31
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Calcium-independent subtilisin by design.
Proteins, 16, 1993
2HD6
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BU of 2hd6 by Molmil
Crystal structure of the human carbonic anhydrase II in complex with a hypoxia-activatable sulfonamide.
分子名称: CHLORIDE ION, Carbonic anhydrase 2, GLYCEROL, ...
著者De Simone, G, Vitale, R.M, Di Fiore, A, Pedone, C.
登録日2006-06-20
公開日2006-10-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Carbonic anhydrase inhibitors: Hypoxia-activatable sulfonamides incorporating disulfide bonds that target the tumor-associated isoform IX.
J.Med.Chem., 49, 2006
3I6U
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Structure and Activation Mechanism of the CHK2 DNA-Damage Checkpoint Kinase
分子名称: Serine/threonine-protein kinase Chk2
著者Pavletich, N.P.
登録日2009-07-07
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure and activation mechanism of the CHK2 DNA damage checkpoint kinase.
Mol.Cell, 35, 2009
2GTU
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LIGAND-FREE HUMAN GLUTATHIONE S-TRANSFERASE M2-2 (E.C.2.5.1.18), MONOCLINIC CRYSTAL FORM
分子名称: GLUTATHIONE S-TRANSFERASE
著者Patskovska, L.N, Fedorov, A.A, Patskovsky, Y.V, Almo, S.C, Listowsky, I.
登録日1998-05-26
公開日1999-03-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The enhanced affinity for thiolate anion and activation of enzyme-bound glutathione is governed by an arginine residue of human Mu class glutathione S-transferases.
J.Biol.Chem., 275, 2000
1P3Y
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MrsD from Bacillus sp. HIL-Y85/54728
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, MrsD protein
著者Blaesse, M, Kupke, T, Huber, R, Steinbacher, S.
登録日2003-04-19
公開日2003-08-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structure of MrsD, an FAD-binding protein of the HFCD family.
Acta Crystallogr.,Sect.D, 59, 2003
4XJT
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Human CD38 complexed with inhibitor 2 [4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide]
分子名称: 4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
著者Shewchuk, L.M, Deaton, D.N, Stewart, E.
登録日2015-01-09
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of 4-Amino-8-quinoline Carboxamides as Novel, Submicromolar Inhibitors of NAD-Hydrolyzing Enzyme CD38.
J.Med.Chem., 58, 2015
4CTC
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BU of 4ctc by Molmil
Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17- dihydro-1H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecin-15(10H)-one
分子名称: (10R)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E.
登録日2014-03-12
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
5IL5
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BU of 5il5 by Molmil
Crystal structure of the dehydratase domain of MlnD from Bacillus amyloliquefaciens
分子名称: MlnD
著者Jakob, R.P, Herbst, D.A, Maier, T.
登録日2016-03-04
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Crystal Structures of Dehydratase Domains from trans-AT Polyketide Biosynthetic Pathways
To Be Published
2HMJ
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BU of 2hmj by Molmil
Crystal Structure of the Naphthalene 1,2-Dioxygenase Phe-352-Val Mutant.
分子名称: 1,2-ETHANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S.
登録日2006-07-11
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.
J.Bacteriol., 188, 2006
1TM5
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BU of 1tm5 by Molmil
crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59A mutant
分子名称: CALCIUM ION, CITRIC ACID, PENTAETHYLENE GLYCOL, ...
著者Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E.
登録日2004-06-10
公開日2004-11-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).
Biochemistry, 43, 2004
1X1X
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Water-mediate interaction at aprotein-protein interface
分子名称: Barstar, Ribonuclease
著者Ikura, T, Urakubo, Y, Ito, N.
登録日2005-04-15
公開日2005-04-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Water-mediated interaction at a protein-protein interface
Chem.Phys., 307, 2004
6LEH
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BU of 6leh by Molmil
Crystal structure of Autotaxin in complex with an inhibitor
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Nishimasu, H, Osamu, N.
登録日2019-11-25
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of PotentIn VivoAutotaxin Inhibitors that Bind to Both Hydrophobic Pockets and Channels in the Catalytic Domain.
J.Med.Chem., 63, 2020
4XG1
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BU of 4xg1 by Molmil
Psychromonas ingrahamii diaminopimelate decarboxylase with LLP
分子名称: (2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid, Diaminopimelate decarboxylase, POTASSIUM ION, ...
著者Peverelli, M.G, Wubben, J.M, Panjikar, S, Perugini, M.A.
登録日2014-12-30
公開日2016-03-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Expression to crystallization of diaminopimelate decarboxylase from the psychrophile Psychromonas ingrahamii
To Be Published
1P5J
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Crystal Structure Analysis of Human Serine Dehydratase
分子名称: L-serine dehydratase, PYRIDOXAL-5'-PHOSPHATE
著者Sun, L, Liu, Y, Rao, Z.
登録日2003-04-27
公開日2004-06-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystallization and preliminary crystallographic analysis of human serine dehydratase.
Acta Crystallogr.,Sect.D, 59, 2003
4XJS
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Human CD38 complexed with inhibitor 1 [6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide]
分子名称: 5-O-phosphono-alpha-D-ribofuranose, 6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
著者Shewchuk, L.M, Deaton, D, Stewart, E.
登録日2015-01-09
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of 4-Amino-8-quinoline Carboxamides as Novel, Submicromolar Inhibitors of NAD-Hydrolyzing Enzyme CD38.
J.Med.Chem., 58, 2015
1P8D
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BU of 1p8d by Molmil
X-Ray Crystal Structure of LXR Ligand Binding Domain with 24(S),25-epoxycholesterol
分子名称: 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC LOPENTA[A]PHENANTHREN-3-OL, Oxysterols receptor LXR-beta, nuclear receptor coactivator 1 isoform 3
著者Williams, S, Bledsoe, R.K, Collins, J.L, Boggs, S, Lambert, M.H, Miller, A.B, Moore, J, McKee, D.D, Moore, L, Nichols, J, Parks, D, Watson, M, Wisely, B, Willson, T.M.
登録日2003-05-06
公開日2003-07-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-ray crystal structure of the liver X receptor beta ligand binding domain: regulation by a histidine-tryptophan switch.
J.Biol.Chem., 278, 2003
6I8M
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THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH ISOINDOLINONE INHIBITOR
分子名称: (1~{S})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide, Poly [ADP-ribose] polymerase 1
著者Casale, E, Papeo, G, Montagnoli, A.
登録日2018-11-20
公開日2019-05-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Stereospecific PARP-1 Inhibitor Isoindolinone NMS-P515.
Acs Med.Chem.Lett., 10, 2019
1TM1
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CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' WITH CHYMOTRYPSIN INHIBITOR 2
分子名称: CALCIUM ION, CITRIC ACID, PENTAETHYLENE GLYCOL, ...
著者Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E.
登録日2004-06-10
公開日2004-11-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).
Biochemistry, 43, 2004
1TM3
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crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59k mutant
分子名称: CALCIUM ION, CITRIC ACID, PENTAETHYLENE GLYCOL, ...
著者Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E.
登録日2004-06-10
公開日2004-11-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).
Biochemistry, 43, 2004

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