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3FJ1
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BU of 3fj1 by Molmil
Crystal structure of putative phosphosugar isomerase (YP_167080.1) from SILICIBACTER POMEROYI DSS-3 at 1.75 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, putative phosphosugar isomerase
著者Joint Center for Structural Genomics (JCSG)
登録日2008-12-12
公開日2009-01-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of putative phosphosugar isomerase (YP_167080.1) from SILICIBACTER POMEROYI DSS-3 at 1.75 A resolution
To be published
3CH6
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BU of 3ch6 by Molmil
Crystal Structure of 11beta-HSD1 Double Mutant (L262R, F278E) Complexed with (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
分子名称: (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sheriff, S.
登録日2008-03-07
公開日2008-06-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Pyridine amides as potent and selective inhibitors of 11beta-hydroxysteroid dehydrogenase type 1
Bioorg.Med.Chem.Lett., 18, 2008
6UDK
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BU of 6udk by Molmil
HIV-1 bNAb 1-55 in complex with modified BG505 SOSIP-based immunogen RC1 and 10-1074
分子名称: 1-55 Fab Heavy Chain, 1-55 Fab Light Chain, 10-1074 Fab Heavy Chain, ...
著者Abernathy, M.E, Barnes, C.O, Gristick, H.B, Bjorkman, P.J.
登録日2019-09-19
公開日2020-01-29
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Restriction of HIV-1 Escape by a Highly Broad and Potent Neutralizing Antibody.
Cell, 180, 2020
6UDJ
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BU of 6udj by Molmil
HIV-1 bNAb 1-18 in complex with BG505 SOSIP.664 and 10-1074
分子名称: 1-18 Fab Heavy Chain, 1-18 Fab Light Chain, 10-1074 Fab Heavy Chain, ...
著者Abernathy, M.E, Barnes, C.O, Gristick, H.B, Bjorkman, P.J.
登録日2019-09-19
公開日2020-01-29
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Restriction of HIV-1 Escape by a Highly Broad and Potent Neutralizing Antibody.
Cell, 180, 2020
5OMY
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BU of 5omy by Molmil
HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P
分子名称: 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, Casein kinase II subunit alpha
著者Hochscherf, J, Lindenblatt, D, Witulski, B, Birus, R, Aichele, D, Marminon, C, Bouaziz, Z, Le Borgne, M, Jose, J, Niefind, K.
登録日2017-08-02
公開日2017-12-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Unexpected Binding Mode of a Potent Indeno[1,2-b]indole-Type Inhibitor of Protein Kinase CK2 Revealed by Complex Structures with the Catalytic Subunit CK2 alpha and Its Paralog CK2 alpha '.
Pharmaceuticals (Basel), 10, 2017
6F9R
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BU of 6f9r by Molmil
Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Sampatrilat-Asp.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cozier, G.E, Acharya, K.R.
登録日2017-12-15
公開日2018-03-07
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structures of sampatrilat and sampatrilat-Asp in complex with human ACE - a molecular basis for domain selectivity.
FEBS J., 285, 2018
1XSE
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BU of 1xse by Molmil
Crystal Structure of Guinea Pig 11beta-Hydroxysteroid Dehydrogenase Type 1
分子名称: 11beta-hydroxysteroid dehydrogenase type 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Ogg, D, Elleby, B, Norstrom, C, Stefansson, K, Abrahmsen, L, Oppermann, U, Svensson, S.
登録日2004-10-19
公開日2004-11-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of guinea pig 11beta-hydroxysteroid dehydrogenase type 1 provides a model for enzyme-lipid bilayer interactions
J.Biol.Chem., 280, 2005
2IRW
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BU of 2irw by Molmil
Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Ether Inhibitor
分子名称: (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Longenecker, K.L, Patel, J.R, Russell, J, Qin, W.
登録日2006-10-16
公開日2007-01-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of adamantane ethers as inhibitors of 11beta-HSD-1: Synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 17, 2007
3H2Z
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BU of 3h2z by Molmil
The crystal structure of mannitol-1-phosphate dehydrogenase from Shigella flexneri
分子名称: ACETATE ION, GLYCEROL, Mannitol-1-phosphate 5-dehydrogenase, ...
著者Wu, R, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-04-15
公開日2009-06-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of mannitol-1-phosphate dehydrogenase from Shigella flexneri
To be Published
1YBV
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BU of 1ybv by Molmil
STRUCTURE OF TRIHYDROXYNAPHTHALENE REDUCTASE IN COMPLEX WITH NADPH AND AN ACTIVE SITE INHIBITOR
分子名称: 5-METHYL-1,2,4-TRIAZOLO[3,4-B]BENZOTHIAZOLE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIHYDROXYNAPHTHALENE REDUCTASE
著者Andersson, A, Schneider, G, Lindqvist, Y.
登録日1996-09-23
公開日1997-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the ternary complex of 1,3,8-trihydroxynaphthalene reductase from Magnaporthe grisea with NADPH and an active-site inhibitor.
Structure, 4, 1996
3ZZX
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BU of 3zzx by Molmil
Crystallographic structure of thioredoxin from Litopenaeus vannamei
分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, ACETATE ION, GLYCEROL, ...
著者Campos-Acevedo, A.A, Sotelo-Mundo, R.R, Rudino-Pinera, E.
登録日2011-09-05
公開日2012-09-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Expression, Purification, Crystallization and X-Ray Crystallographic Studies of Different Redox States of the Active Site of Thioredoxin 1 from the Whiteleg Shrimp Litopenaeus Vannamei
Acta Crystallogr.,Sect.F, 69, 2013
4A2C
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BU of 4a2c by Molmil
Crystal structure of galactitol-1-phosphate dehydrogenase from Escherichia coli
分子名称: GALACTITOL-1-PHOSPHATE 5-DEHYDROGENASE, NICKEL (II) ION, ZINC ION
著者Alvarez, Y, Esteban-Torres, M, Acebron, I, de las Rivas, B, Munoz, R, Mancheno, J.M.
登録日2011-09-26
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The Crystal Structure of Galactitol-1-Phosphate 5-Dehydrogenase from Escherichia Coli K12 Provides Insights Into its Anomalous Behavior on Imac Processes
FEBS Lett., 586, 2012
4CMG
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BU of 4cmg by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
分子名称: 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Barrack, K.L, Hunter, W.N.
登録日2014-01-16
公開日2015-01-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CLH
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BU of 4clh by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
分子名称: 4-thiomorpholino-7H-pyrrolo[2,3-d]pyrimidin-2-amine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Barrack, K.L, Hunter, W.N.
登録日2014-01-14
公開日2015-01-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4LGV
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BU of 4lgv by Molmil
X-ray crystal structure of Glucose-6-phosphate 1-dehydrogenase from Mycobacterium avium
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-06-28
公開日2013-07-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3HB4
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BU of 3hb4 by Molmil
17beta-hydroxysteroid dehydrogenase type1 complexed with E2B
分子名称: 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide, Estradiol 17-beta-dehydrogenase 1
著者Mazumdar, M, Fournier, D, Zhu, D.-W, Cadot, C, Poirier, D, Lin, S.-X.
登録日2009-05-04
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Binary and ternary crystal structure analyses of a novel inhibitor with 17beta-HSD type 1: a lead compound for breast cancer therapy.
Biochem.J., 424, 2009
1QAT
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BU of 1qat by Molmil
1-PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE PHOSPHODIESTERASE DELTA COMPLEX WITH SAMARIUM (III) CHLORIDE
分子名称: PHOSPHOLIPASE C DELTA-1, SAMARIUM (III) ION
著者Grobler, J.A, Hurley, J.H.
登録日1996-08-02
公開日1997-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献C2 domain conformational changes in phospholipase C-delta 1.
Nat.Struct.Biol., 3, 1996
1QFO
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BU of 1qfo by Molmil
N-TERMINAL DOMAIN OF SIALOADHESIN (MOUSE) IN COMPLEX WITH 3'SIALYLLACTOSE
分子名称: N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, PROTEIN (SIALOADHESIN)
著者May, A.P, Robinson, R.C, Vinson, M, Crocker, P.R, Jones, E.Y.
登録日1999-04-12
公開日1999-04-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of the N-terminal domain of sialoadhesin in complex with 3' sialyllactose at 1.85 A resolution.
Mol.Cell, 1, 1998
3BGZ
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BU of 3bgz by Molmil
Human Pim-1 kinase in complex with diphenyl indole inhibitor VX3
分子名称: 2,3-diphenyl-1H-indole-7-carboxylic acid, Proto-oncogene serine/threonine-protein kinase Pim-1
著者Jacobs, M.D.
登録日2007-11-27
公開日2007-12-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Docking study yields four novel inhibitors of the protooncogene pim-1 kinase.
J.Med.Chem., 51, 2008
1ICQ
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BU of 1icq by Molmil
CRYSTAL STRUCTURE OF 12-OXOPHYTODIENOATE REDUCTASE 1 FROM TOMATO COMPLEXED WITH 9R,13R-OPDA
分子名称: 12-OXOPHYTODIENOATE REDUCTASE 1, 9R,13R-12-OXOPHYTODIENOIC ACID, FLAVIN MONONUCLEOTIDE
著者Breithaupt, C, Strassner, J, Breitinger, U, Huber, R, Macheroux, P, Schaller, A, Clausen, T.
登録日2001-04-02
公開日2001-05-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure of 12-oxophytodienoate reductase 1 provides structural insight into substrate binding and specificity within the family of OYE.
Structure, 9, 2001
3DJJ
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BU of 3djj by Molmil
Catalytic cycle of human glutathione reductase near 1 A resolution
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Glutathione reductase, ...
著者Berkholz, D.S, Faber, H.R, Savvides, S.N, Karplus, P.A.
登録日2008-06-23
公開日2008-08-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Catalytic cycle of human glutathione reductase near 1 A resolution.
J.Mol.Biol., 382, 2008
5UJB
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BU of 5ujb by Molmil
Structure of a Mcl-1 Inhibitor Binding to Site 3 of Human Serum Albumin
分子名称: 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, PHOSPHATE ION, Serum albumin
著者Zhao, B.
登録日2017-01-17
公開日2017-05-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of a Myeloid cell leukemia-1 (Mcl-1) inhibitor bound to drug site 3 of Human Serum Albumin.
Bioorg. Med. Chem., 25, 2017
4FFY
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BU of 4ffy by Molmil
Crystal structure of DENV1-E111 single chain variable fragment bound to DENV-1 DIII, strain 16007.
分子名称: CHLORIDE ION, DENV1-E111 single chain variable fragment (heavy chain), DENV1-E111 single chain variable fragment (light chain), ...
著者Austin, S.K, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-06-01
公開日2012-06-20
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis of Differential Neutralization of DENV-1 Genotypes by an Antibody that Recognizes a Cryptic Epitope.
Plos Pathog., 8, 2012
4CLD
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BU of 4cld by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
分子名称: 2-amino-4-thiomorpholino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Barrack, K.L, Hunter, W.N.
登録日2014-01-14
公開日2015-01-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CMJ
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BU of 4cmj by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
分子名称: 6-(4-bromophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1
著者Barrack, K.L, Hunter, W.N.
登録日2014-01-16
公開日2015-01-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014

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