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6DTP
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BU of 6dtp by Molmil
CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 COMPLEXED WITH EM139
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Estradiol 17-beta-dehydrogenase 1, ...
Authors:Li, T, Lin, S.X.
Deposit date:2018-06-18
Release date:2018-09-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 COMPLEXED WITH Dual-Site Inhibitor EM-139
Health, 2018
4TRR
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BU of 4trr by Molmil
Crystal structure of a putative Putative D-beta-hydroxybutyrate dehydrogenase from Burkholderia cenocepacia J2315
Descriptor: 1,2-ETHANEDIOL, Putative D-beta-hydroxybutyrate dehydrogenase, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-06-17
Release date:2014-08-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a putative Putative D-beta-hydroxybutyrate dehydrogenase from Burkholderia cenocepacia J2315
to be published
3BZU
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BU of 3bzu by Molmil
Crystal structure of human 11-beta-hydroxysteroid dehydrogenase(HSD1) in complex with NADP and thiazolone inhibitor
Descriptor: (5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Min, X, Sudom, A, Xu, H, Wang, Z, Walker, N.P.
Deposit date:2008-01-18
Release date:2008-06-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural characterization and pharmacodynamic effects of an orally active 11beta-hydroxysteroid dehydrogenase type 1 inhibitor.
Chem.Biol.Drug Des., 71, 2008
4WEO
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BU of 4weo by Molmil
Crystal Structure of a Putative acetoin(Diacetyl) Reductase Burkholderia cenocepacia
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-09-10
Release date:2014-09-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of a Putative acetoin(Diacetyl) Reductase Burkholderia cenocepacia
to be published
1WMA
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BU of 1wma by Molmil
Crystal structure of human CBR1 in complex with Hydroxy-PP
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)PHENOL, ...
Authors:Rauh, D, Bateman, R, Shokat, K.M.
Deposit date:2004-07-06
Release date:2005-04-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:An unbiased cell morphology-based screen for new, biologically active small molecules
Plos Biol., 3, 2005
1N5D
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BU of 1n5d by Molmil
CRYSTAL STRUCTURE OF PORCINE TESTICULAR CARBONYL REDUCTASE/ 20BETA-HYDROXYSTEROID DEHYDROGENASE
Descriptor: CARBONYL REDUCTASE/20BETA-HYDROXYSTEROID DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
Authors:Ghosh, D.
Deposit date:2002-11-05
Release date:2002-11-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Porcine Carbonyl Reductase: Structural Basis for a Functional Monomer in Short-Chain Dehydrogenases/Reductases
J.Biol.Chem., 276, 2001
6USN
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BU of 6usn by Molmil
Co-crystal structure of SPR with compound 5
Descriptor: (2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Huang, X, Wang, K.
Deposit date:2019-10-28
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.773 Å)
Cite:Virtual screening to identify potent sepiapterin reductase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
2RBE
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BU of 2rbe by Molmil
The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors
Descriptor: (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J, Jordan, S.R, Li, V.
Deposit date:2007-09-18
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
7ULH
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BU of 7ulh by Molmil
Crystal Structure of a Short chain dehydrogenase from Mycobacterium avium 104
Descriptor: Short chain dehydrogenase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-04-04
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Crystal Structure of a Short chain dehydrogenase from Mycobacterium avium 104
to be published
7JK9
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BU of 7jk9 by Molmil
Helical filaments of plant light-dependent protochlorophyllide oxidoreductase (LPOR) bound to NADPH, Pchlide, and membrane
Descriptor: 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Protochlorophyllide, ...
Authors:Nguyen, H.C, Gabruk, M, Frost, A.
Deposit date:2020-07-28
Release date:2021-03-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Photocatalytic LPOR forms helical lattices that shape membranes for chlorophyll synthesis.
Nat.Plants, 7, 2021
3TL3
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BU of 3tl3 by Molmil
Structure of a short-chain type dehydrogenase/reductase from Mycobacterium ulcerans
Descriptor: SODIUM ION, Short-chain type dehydrogenase/reductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-08-29
Release date:2011-09-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4XGN
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BU of 4xgn by Molmil
Crystal structure of 3-hydroxyacyl-CoA dehydrogenase in complex with NAD from Burkholderia thailandensis
Descriptor: 1,2-ETHANEDIOL, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-12-31
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of 3-hydroxyacyl-CoA dehydrogenase in complex with NAD from Burkholderia thailandensis
to be published
5BT9
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BU of 5bt9 by Molmil
Crystal Structure of FolM Alternative dihydrofolate reductase 1 from Brucella canis complexed with NADP
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-06-02
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of FolM alternative dihydrofolate reductase 1 from Brucella suis and Brucella canis.
Acta Crystallogr.,Sect.F, 78, 2022
5B4U
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BU of 5b4u by Molmil
Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and an inhibitor malonate
Descriptor: 3-hydroxybutyrate dehydrogenase, CHLORIDE ION, MALONIC ACID, ...
Authors:Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A.
Deposit date:2016-04-19
Release date:2016-08-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural insights into the catalytic reaction trigger and inhibition of D-3-hydroxybutyrate dehydrogenase
Acta Crystallogr.,Sect.F, 72, 2016
3TN7
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BU of 3tn7 by Molmil
Crystal structure of short-chain alcohol dehydrogenase from hyperthermophilic archaeon Thermococcus sibiricus complexed with 5-hydroxy-NADP
Descriptor: 5-hydroxy-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, GLYCEROL, Short-chain alcohol dehydrogenase
Authors:Boyko, K.M, Polyakov, K.M, Bezsudnova, E.Y, Stekhanova, T.N, Gumerov, V.M, Mardanov, A.V, Ravin, N.V, Skryabin, K.G, Kovalchuk, M.V, Popov, V.O.
Deposit date:2011-09-01
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural insight into the molecular basis of polyextremophilicity of short-chain alcohol dehydrogenase from the hyperthermophilic archaeon Thermococcus sibiricus.
Biochimie, 94, 2012
6R48
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BU of 6r48 by Molmil
Crystal structure of LPOR (Synechocystis) complexed with NADPH at 1.87A resolution.
Descriptor: CHLORIDE ION, Light-dependent protochlorophyllide reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhou, A, Feng, L.
Deposit date:2019-03-22
Release date:2019-10-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
6L1H
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BU of 6l1h by Molmil
Crystal structure of light-dependent protochlorophyllide oxidoreductase from Thermosynechococcus elongatus
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-protochlorophyllide oxidoreductase
Authors:Dong, C, Wang, X, Liu, L.
Deposit date:2019-09-29
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.409 Å)
Cite:Crystal structures of cyanobacterial light-dependent protochlorophyllide oxidoreductase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6R46
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BU of 6r46 by Molmil
Crystal structure of LPOR (Thermosynechococcus elongatus) complexed with NADP+ at 2.5A resolution
Descriptor: CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-protochlorophyllide oxidoreductase, ...
Authors:Zhou, A, Feng, L.
Deposit date:2019-03-22
Release date:2019-10-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
4FDA
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BU of 4fda by Molmil
Crystal structure of Saccharomyces cerevisiae 3-oxoacyl-[acyl-carrier-protein] reductase complexed with NADP
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Yujie, Z, Yongxiang, G.
Deposit date:2012-05-27
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Saccharomyces cerevisiae 3-oxoacyl-[acyl-carrier-protein] reductase complexed with NADPH
To be Published
6ZZP
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BU of 6zzp by Molmil
Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Psychrobacter arcticus complexed with NAD+ and 3-oxovalerate
Descriptor: 3-oxidanylidenepentanoic acid, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative beta-hydroxybutyrate dehydrogenase
Authors:Machado, T.F.G, da Silva, R.G, Gloster, T.M, McMahon, S.A, Oehler, V.
Deposit date:2020-08-04
Release date:2020-10-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Dissecting the Mechanism of ( R )-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry.
Acs Catalysis, 10, 2020
4FD3
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BU of 4fd3 by Molmil
Crystal structure of apo-formed ymtOAR1
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase
Authors:Zhang, Y, Gao, Y, Ning, F, Niu, L, Teng, M.
Deposit date:2012-05-26
Release date:2013-06-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of apo-formed ymtOAR1
To be Published
6L1G
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BU of 6l1g by Molmil
Crystal structure of light-dependent protochlorophyllide oxidoreductase from Synechocystis sp. PCC 6803
Descriptor: Light-dependent protochlorophyllide reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
Authors:Dong, C, Wang, X, Liu, L.
Deposit date:2019-09-29
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of cyanobacterial light-dependent protochlorophyllide oxidoreductase.
Proc.Natl.Acad.Sci.USA, 117, 2020
4XWY
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BU of 4xwy by Molmil
Crystal structure of human sepiapterin reductase in complex with an N-acetylserotinin analogue
Descriptor: N-[2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl]-2-methoxyacetamide, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
Authors:Johnsson, K, Hovius, R, Gorszka, K.I, Pojer, F.
Deposit date:2015-01-29
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Reduction of Neuropathic and Inflammatory Pain through Inhibition of the Tetrahydrobiopterin Pathway.
Neuron, 86, 2015
5PGU
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BU of 5pgu by Molmil
CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone
Descriptor: 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sheriff, S.
Deposit date:2017-02-06
Release date:2017-11-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
5PGX
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BU of 5pgx by Molmil
CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-(2-BENZYL-6-HYDROXYADAMANTAN-2-YL)-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE
Descriptor: 2-(2-BENZYL-6-HYDROXYADAMANTAN-2-YL)-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sheriff, S.
Deposit date:2017-02-06
Release date:2017-11-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017

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数据于2024-06-12公开中

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