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2X0I
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BU of 2x0i by Molmil
2.9 A RESOLUTION STRUCTURE OF MALATE DEHYDROGENASE FROM ARCHAEOGLOBUS FULGIDUS IN COMPLEX WITH NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MALATE DEHYDROGENASE, SODIUM ION, ...
Authors:Irimia, A, Madern, D, Zaccai, G, Vellieux, F.M.D, Karshikoff, A, Tibbelin, G, Ladenstein, R, Lien, T, Birkeland, N.-K.
Deposit date:2009-12-14
Release date:2009-12-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:The 2.9A Resolution Crystal Structure of Malate Dehydrogenase from Archaeoglobus Fulgidus: Mechanisms of Oligomerisation and Thermal Stabilisation.
J.Mol.Biol., 335, 2004
5VAX
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BU of 5vax by Molmil
Bcl-2 complex with Beclin 1 BH3 domain
Descriptor: Apoptosis regulator Bcl-2 -- Bcl-2-like protein 1 Chimera, Beclin-1
Authors:Lee, E.F, Smith, B.J, Yao, S, Fairlie, W.D.
Deposit date:2017-03-28
Release date:2018-04-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Bcl-2 complex with Beclin 1 pT108 BH3 domain
To Be Published
6C91
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BU of 6c91 by Molmil
Structure of GRP94 with a resorcinylic inhibitor.
Descriptor: 1,2-ETHANEDIOL, 5-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol, Endoplasmin, ...
Authors:Que, N.L.S, Gewirth, D.T.
Deposit date:2018-01-25
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.895 Å)
Cite:Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
1QLE
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BU of 1qle by Molmil
CRYO-STRUCTURE OF THE PARACOCCUS DENITRIFICANS FOUR-SUBUNIT CYTOCHROME C OXIDASE IN THE COMPLETELY OXIDIZED STATE COMPLEXED WITH AN ANTIBODY FV FRAGMENT
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, CCYTOCHROME C OXIDASE, ...
Authors:Harrenga, A, Michel, H.
Deposit date:1999-08-30
Release date:1999-12-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Cytochrome C Oxidase from Paracoccus Denitrificans Does not Change the Metal Center Ligation Upon Reduction
J.Biol.Chem., 274, 1999
1QTO
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BU of 1qto by Molmil
1.5 A CRYSTAL STRUCTURE OF A BLEOMYCIN RESISTANCE DETERMINANT FROM BLEOMYCIN-PRODUCING STREPTOMYCES VERTICILLUS
Descriptor: BLEOMYCIN-BINDING PROTEIN
Authors:Kawano, Y, Kumagai, T, Muta, K, Matoba, Y, Davies, J, Sugiyama, M.
Deposit date:1999-06-28
Release date:2000-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The 1.5 A crystal structure of a bleomycin resistance determinant from bleomycin-producing Streptomyces verticillus.
J.Mol.Biol., 295, 2000
3N81
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BU of 3n81 by Molmil
T244A mutant of Human mitochondrial aldehyde dehydrogenase, apo form
Descriptor: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, mitochondrial, ...
Authors:Gonzalez-Segura, L, Hurley, T.D.
Deposit date:2010-05-27
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational Selection During Catalysis: The role of Threonine 244 in ALDH2
To be published
3JQA
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BU of 3jqa by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-1,9-dihydro-6H-purine-6-thione (DX4)
Descriptor: 2-amino-1,9-dihydro-6H-purine-6-thione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
2I7S
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BU of 2i7s by Molmil
Crystal structure of Re(phen)(CO)3 (Thr124His)(His83Gln) Azurin Cu(II) from Pseudomonas aeruginosa
Descriptor: (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COBALT TETRAAMMINE ION, ...
Authors:Gradinaru, C, Crane, B.R.
Deposit date:2006-08-31
Release date:2006-12-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Relaxation dynamics of Pseudomonas aeruginosa Re(I)(CO)3(alpha-diimine)(HisX)+ (X = 83, 107, 109, 124, 126)Cu(II) azurins.
J.Am.Chem.Soc., 131, 2009
5L6B
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BU of 5l6b by Molmil
Yeast 20S proteasome with mouse beta5i (1-138) and mouse beta6 (97-111; 118-133) in complex with ONX 0914
Descriptor: 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Groll, M, Huber, E.M.
Deposit date:2016-05-28
Release date:2016-11-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
3NT2
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BU of 3nt2 by Molmil
Crystal structure of myo-inositol dehydrogenase from Bacillus subtilis with bound cofactor
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Van Straaten, K.E, Palmer, D.R.J, Sanders, D.A.R.
Deposit date:2010-07-02
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3003 Å)
Cite:Structural investigation of myo-inositol dehydrogenase from Bacillus subtilis: implications for catalytic mechanism and inositol dehydrogenase subfamily classification.
Biochem.J., 432, 2010
3GPH
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BU of 3gph by Molmil
Human cytochrome P450 2E1 in complex with omega-imidazolyl-decanoic acid
Descriptor: 10-(1H-imidazol-1-yl)decanoic acid, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Porubsky, P.R, Battaile, K.P, Scott, E.E.
Deposit date:2009-03-23
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode.
J.Biol.Chem., 285, 2010
1ZK1
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BU of 1zk1 by Molmil
Structure of R-specific alcohol dehydrogenase (mutant G37D) from Lactobacillus brevis in complex with phenylethanol and NAD
Descriptor: 1-PHENYLETHANONE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Schlieben, N.H, Niefind, K, Muller, J, Riebel, B, Hummel, W, Schomburg, D.
Deposit date:2005-05-02
Release date:2005-06-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Atomic Resolution Structures of R-specific Alcohol Dehydrogenase from Lactobacillus brevis Provide the Structural Bases of its Substrate and Cosubstrate Specificity
J.Mol.Biol., 349, 2005
5U13
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BU of 5u13 by Molmil
E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one
Descriptor: 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one, Dihydropteroate synthase
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2016-11-27
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
3SM8
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BU of 3sm8 by Molmil
Crystal Structure of Pseudomonas aeruginosa D-Arginine Dehydrogenase in Complex with an (N5) Flavin Adduct
Descriptor: FAD-dependent catabolic D-arginine dehydrogenase, DauA, GLYCEROL, ...
Authors:Fu, G, Weber, I.T.
Deposit date:2011-06-27
Release date:2011-07-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Atomic-resolution structure of an N5 flavin adduct in D-arginine dehydrogenase.
Biochemistry, 50, 2011
1HXH
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BU of 1hxh by Molmil
COMAMONAS TESTOSTERONI 3BETA/17BETA HYDROXYSTEROID DEHYDROGENASE
Descriptor: 3BETA/17BETA-HYDROXYSTEROID DEHYDROGENASE
Authors:Benach, J, Filling, C, Oppermann, U.C.T, Roversi, P, Bricogne, G, Berndt, K.D, Jornvall, H, Ladenstein, R.
Deposit date:2001-01-15
Release date:2002-12-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Structure of Bacterial 3beta/17beta-Hydroxysteroid Dehydrogenase at 1.2 A Resolution: A Model for Multiple Steroid Recognition
Biochemistry, 41, 2002
4RNX
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BU of 4rnx by Molmil
K154 Circular Permutation of Old Yellow Enzyme
Descriptor: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 1
Authors:Horton, J.R, Daugherty, A.B, Cheng, X, Lutz, S.
Deposit date:2014-10-26
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME.
ACS Catal, 5, 2015
4DJN
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BU of 4djn by Molmil
Crystal structure of a ribonucleotide reductase M2 B (RNRR2) from Homo sapiens at 2.20 A resolution
Descriptor: 1,2-ETHANEDIOL, Ribonucleoside-diphosphate reductase subunit M2 B, SULFATE ION
Authors:Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
Deposit date:2012-02-02
Release date:2012-05-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a ribonucleotide reductase M2 B (RNRR2) from Homo sapiens at 2.20 A resolution
To be published
3M8Y
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BU of 3m8y by Molmil
Phosphopentomutase from Bacillus cereus after glucose-1,6-bisphosphate activation
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ...
Authors:Panosian, T.D, Nannemann, D.P, Watkins, G, Wadzinski, B, Bachmann, B.O, Iverson, T.M.
Deposit date:2010-03-19
Release date:2010-12-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bacillus cereus Phosphopentomutase Is an Alkaline Phosphatase Family Member That Exhibits an Altered Entry Point into the Catalytic Cycle.
J.Biol.Chem., 286, 2011
1LWL
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BU of 1lwl by Molmil
Crystal Structure of Cytochrome P450-cam with a Fluorescent Probe D-8-Ad (Adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-octyl-amide)
Descriptor: ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE
Authors:Dunn, A.R, Hays, A.M, Goodin, D.B, Stout, C.D, Chiu, R, Winkler, J.R, Gray, H.B.
Deposit date:2002-05-31
Release date:2002-12-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fluorescent probes for cytochrome P450 structural characterization and inhibitor screening
J.AM.CHEM.SOC., 124, 2002
2W4Q
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BU of 2w4q by Molmil
Crystal structure of human zinc-binding alcohol dehydrogenase 1 (ZADH1) in ternary complex with NADP and 18beta-glycyrrhetinic acid
Descriptor: (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROSTAGLANDIN REDUCTASE 2, ...
Authors:Shafqat, N, Yue, W.W, Ugochukwu, E, Picaud, S, Niesen, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2008-11-30
Release date:2009-01-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1
To be Published
5F2M
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BU of 5f2m by Molmil
Tagatose-1,6-bisphosphate aldolase from Streptococcus pyogenes in complex with competitive inhibitor hexitol-1,6-bisphosphate
Descriptor: CALCIUM ION, D-MANNITOL-1,6-DIPHOSPHATE, Tagatose 1,6-diphosphate aldolase 2
Authors:LowKam, C.
Deposit date:2015-12-02
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:NON-STEREOSPECIFIC SUBSTRATE CLEAVAGE BY TAGATOSE-BISPHOSPHATE CLASS I ALDOLASE
To Be Published
2VYV
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BU of 2vyv by Molmil
Structure of E.Coli GAPDH Rat Sperm GAPDH heterotetramer
Descriptor: FORMIC ACID, GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Frayne, J, Taylor, A, Hall, L, Hadfield, A.
Deposit date:2008-07-29
Release date:2008-08-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structure of Insoluble Rat Sperm Glyceraldehyde-3-Phosphate Dehydrogenase (Gapdh) Via Heterotetramer Formation with Escherichia Coli Gapdh Reveals Target for Contraceptive Design.
J.Biol.Chem., 284, 2009
5L63
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BU of 5l63 by Molmil
Yeast 20S proteasome with human beta5c (1-138) and human beta6 (97-111; 118-133) in complex with epoxyketone inhibitor 17
Descriptor: 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Groll, M, Huber, E.M.
Deposit date:2016-05-28
Release date:2016-11-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
4DRE
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BU of 4dre by Molmil
Mycobacterium tuberculosis InhA in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Pojer, F, Hartkoorn, R.C, Boy, S, Cole, S.T.
Deposit date:2012-02-17
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Towards a new tuberculosis drug: pyridomycin - nature's isoniazid.
EMBO Mol Med, 4, 2012
5F2L
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BU of 5f2l by Molmil
Tagatose-1,6-bisphosphate aldolase from Streptococcus pyogenes in complex with competitive inhibitor talitol-1,6-bisphosphate
Descriptor: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:LowKam, C.
Deposit date:2015-12-02
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:NON-STEREOSPECIFIC SUBSTRATE CLEAVAGE BY TAGATOSE-BISPHOSPHATE CLASS I ALDOLASE
To Be Published

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