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5ZA0
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BU of 5za0 by Molmil
A cryo-protectant induces the conformational change of glyceraldehyde-3-phosphate dehydrogenase
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase A, SULFATE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Authors:Kim, Y.J.
Deposit date:2018-02-06
Release date:2018-05-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:A cryoprotectant induces conformational change in glyceraldehyde-3-phosphate dehydrogenase.
Acta Crystallogr F Struct Biol Commun, 74, 2018
3AGC
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BU of 3agc by Molmil
F218V mutant of the substrate-bound red chlorophyll catabolite reductase from Arabidopsis thaliana
Descriptor: 3-{(2Z,3S,4S)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-[(5R)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid, Red chlorophyll catabolite reductase, chloroplastic, ...
Authors:Sugishima, M, Fukuyama, K.
Deposit date:2010-03-30
Release date:2010-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the substrate-bound forms of red chlorophyll catabolite reductase: implications for site-specific and stereospecific reaction
J.Mol.Biol., 402, 2010
2PDB
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BU of 2pdb by Molmil
Human aldose reductase mutant F121P complexed with zopolrestat.
Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Steuber, H, Heine, A, Klebe, G.
Deposit date:2007-03-31
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
1T02
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BU of 1t02 by Molmil
Crystal structure of a Statin bound to class II HMG-CoA reductase
Descriptor: (3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION
Authors:Tabernero, L, Rodwell, V.W, Stauffacher, C.
Deposit date:2004-04-07
Release date:2004-08-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a statin bound to a class II hydroxymethylglutaryl-CoA reductase.
J.Biol.Chem., 278, 2003
7KSQ
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BU of 7ksq by Molmil
The Structure of the moss PSI-LHCI reveals the evolution of the LHCI antenna
Descriptor: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Riddle, R, Gorski, C, Toporik, H, Dobson, Z, Da, Z, Williams, D, Mazor, Y.
Deposit date:2020-11-23
Release date:2022-03-30
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:The structure of the Physcomitrium patens photosystem I reveals a unique Lhca2 paralogue replacing Lhca4.
Nat.Plants, 8, 2022
7KUX
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BU of 7kux by Molmil
The Structure of the moss PSI-LHCI reveals the evolution of the LHCI antenna
Descriptor: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Riddle, R, Gorski, C, Toporik, H, Dobson, Z, Da, Z, Williams, D, Mazor, Y.
Deposit date:2020-11-25
Release date:2022-03-30
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:The structure of the Physcomitrium patens photosystem I reveals a unique Lhca2 paralogue replacing Lhca4.
Nat.Plants, 8, 2022
5ZIC
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BU of 5zic by Molmil
Crystal structure of human GnT-V luminal domain in complex with acceptor sugar
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-6-thio-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A
Authors:Nagae, M, Yamaguchi, Y.
Deposit date:2018-03-14
Release date:2018-08-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and mechanism of cancer-associated N-acetylglucosaminyltransferase-V.
Nat Commun, 9, 2018
7M8I
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BU of 7m8i by Molmil
Human CYP11B2 and human adrenodoxin in complex with fadrozole
Descriptor: 4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Adrenodoxin, Cytochrome P450 11B2, ...
Authors:Scott, E.E, Brixius-Anderko, S.
Deposit date:2021-03-29
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Structural and functional insights into aldosterone synthase interaction with its redox partner protein adrenodoxin.
J.Biol.Chem., 296, 2021
1OVD
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BU of 1ovd by Molmil
THE K136E MUTANT OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE A IN COMPLEX WITH OROTATE
Descriptor: DIHYDROOROTATE DEHYDROGENASE A, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Norager, S, Arent, S, Bjornberg, O, Ottosen, M, Lo Leggio, L, Jensen, K.F, Larsen, S.
Deposit date:2003-03-26
Release date:2003-08-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function.
J.Biol.Chem., 278, 2003
1JPU
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BU of 1jpu by Molmil
Crystal Structure of Bacillus Stearothermophilus Glycerol Dehydrogenase
Descriptor: ZINC ION, glycerol dehydrogenase
Authors:Ruzheinikov, S.N, Burke, J, Sedelnikova, S, Baker, P.J, Taylor, R, Bullough, P.A, Muir, N.M, Gore, M.G, Rice, D.W.
Deposit date:2001-08-03
Release date:2001-10-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Glycerol dehydrogenase. structure, specificity, and mechanism of a family III polyol dehydrogenase.
Structure, 9, 2001
1P5Z
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BU of 1p5z by Molmil
Structure of human dCK complexed with cytarabine and ADP-MG
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CYTARABINE, Deoxycytidine kinase, ...
Authors:Sabini, E, Ort, S, Monnerjahn, C, Konrad, M, Lavie, A.
Deposit date:2003-04-28
Release date:2003-07-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of human dCK suggests strategies to improve anticancer and antiviral therapy
Nat.Struct.Biol., 10, 2003
4KPJ
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BU of 4kpj by Molmil
Crystal Structure of Farnesyl Pyrophosphate Synthase (Y204A) Mutant complexed with Mg, Pamidronate
Descriptor: 1,2-ETHANEDIOL, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
Authors:Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L.
Deposit date:2013-05-13
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Farnesyl Pyrophosphate Synthase (Y204A) Mutant complexed with Mg, Pamidronate
To be Published
3L66
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BU of 3l66 by Molmil
Xenobiotic Reductase A - C25A Variant with Coumarin
Descriptor: (R,R)-2,3-BUTANEDIOL, COUMARIN, FLAVIN MONONUCLEOTIDE, ...
Authors:Spiegelhauer, O, Dobbek, H.
Deposit date:2009-12-23
Release date:2010-03-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study
J.Mol.Biol., 398, 2010
2QHX
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BU of 2qhx by Molmil
Structure of Pteridine Reductase from Leishmania major complexed with a ligand
Descriptor: IODIDE ION, METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Gibellini, F, Mcluskey, K, Tulloch, L, Hunter, W.N.
Deposit date:2007-07-03
Release date:2007-12-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Discovery of potent pteridine reductase inhibitors to guide antiparasite drug development.
Proc.Natl.Acad.Sci.USA, 105, 2008
3AEE
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BU of 3aee by Molmil
Crystal structure of porcine heart mitochondrial complex II bound with Atpenin A5
Descriptor: 3-[(2S,4S,5R)-5,6-DICHLORO-2,4-DIMETHYL-1-OXOHEXYL]-4-HYDROXY-5,6-DIMETHOXY-2(1H)-PYRIDINONE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K.
Deposit date:2010-02-04
Release date:2011-02-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Crystal structure of porcine heart mitochondrial complex II bound with Atpenin A5
To be Published
1PZS
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BU of 1pzs by Molmil
Crystal Structure of a Cu-Zn Superoxide Dismutase from Mycobacterium tuberculosis at 1.63 resolution
Descriptor: COPPER (II) ION, Superoxide dismutase [Cu-Zn]
Authors:Djinovic-Carugo, K, Spagnolo, L, Toro, I.
Deposit date:2003-07-14
Release date:2004-07-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Unique Features of the sodC-encoded Superoxide Dismutase from Mycobacterium tuberculosis, a Fully Functional Copper-containing Enzyme Lacking Zinc in the Active Site.
J.Biol.Chem., 279, 2004
3CAQ
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BU of 3caq by Molmil
Crystal structure of 5beta-reductase (AKR1D1) in complex with NADPH
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3-oxo-5-beta-steroid 4-dehydrogenase, ...
Authors:Faucher, F, Cantin, L, Breton, R.
Deposit date:2008-02-20
Release date:2008-12-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures of Human Delta4-3-Ketosteroid 5beta-Reductase (AKR1D1) Reveal the Presence of an Alternative Binding Site Responsible for Substrate Inhibition (dagger) (,) (double dagger).
Biochemistry, 47, 2008
3DEY
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BU of 3dey by Molmil
Crystal structure of 17beta-HSD1 with DHT in normal and reverse orientation.
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Estradiol 17-beta-dehydrogenase 1, GLYCEROL
Authors:Mazumdar, M.
Deposit date:2008-06-10
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:17beta-HSD1 stimulates breast cancer by DHT inactivation in addition to estradiol production.
To be Published
7L1P
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BU of 7l1p by Molmil
HIV Integrase Core domain (IN) in complex with dimer-spanning ligand
Descriptor: (2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid, IODIDE ION, Integrase, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-12-15
Release date:2021-12-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:HIV Integrase core domain in complex with inhibitor
To Be Published
2HI7
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BU of 2hi7 by Molmil
Crystal structure of DsbA-DsbB-ubiquinone complex
Descriptor: Disulfide bond formation protein B, Thiol:disulfide interchange protein dsbA, UBIQUINONE-1, ...
Authors:Inaba, K, Murakami, S, Suzuki, M, Nakagawa, A, Yamashita, E, Okada, K, Ito, K.
Deposit date:2006-06-29
Release date:2006-12-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Crystal Structure of the DsbB-DsbA Complex Reveals a Mechanism of Disulfide Bond Generation
Cell(Cambridge,Mass.), 127, 2006
4D78
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BU of 4d78 by Molmil
Cytochrome P450 3A4 bound to an inhibitor
Descriptor: CYTOCHROME P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Sevrioukova, I, Poulos, T.
Deposit date:2014-11-21
Release date:2015-09-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model.
J.Med.Chem., 59, 2016
1RX1
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BU of 1rx1 by Molmil
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM)
Descriptor: CALCIUM ION, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sawaya, M.R.
Deposit date:1996-09-19
Release date:1997-01-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
1JUB
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BU of 1jub by Molmil
The K136E mutant of lactococcus lactis dihydroorotate dehydrogenase A
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Norager, S, Arent, S, Bjornberg, O, Ottosen, M, Lo Leggio, L, Jensen, K.F, Larsen, S.
Deposit date:2001-08-24
Release date:2003-09-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function
J.Biol.Chem., 278, 2003
3BLX
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BU of 3blx by Molmil
Yeast Isocitrate Dehydrogenase (Apo Form)
Descriptor: Isocitrate dehydrogenase [NAD] subunit 1, Isocitrate dehydrogenase [NAD] subunit 2
Authors:Taylor, A.B, Hu, G, Hart, P.J, McAlister-Henn, L.
Deposit date:2007-12-11
Release date:2008-02-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allosteric Motions in Structures of Yeast NAD+-specific Isocitrate Dehydrogenase.
J.Biol.Chem., 283, 2008
4GBU
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BU of 4gbu by Molmil
OYE1-W116A in complex with aromatic product of S-carvone dismutation
Descriptor: 2-methyl-5-(prop-1-en-2-yl)phenol, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Pompeu, Y.A, Stewart, J.D.
Deposit date:2012-07-28
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.179 Å)
Cite:X‑ray Crystallography Reveals How Subtle Changes Control the Orientation of Substrate Binding in an Alkene Reductase
ACS CATALYSIS, 3, 2013

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