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2FZ8
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BU of 2fz8 by Molmil
Human Aldose reductase complexed with inhibitor zopolrestat at 1.48 A(1 day soaking).
Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase
Authors:Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G.
Deposit date:2006-02-09
Release date:2006-10-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions.
J.Mol.Biol., 363, 2006
2FSV
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BU of 2fsv by Molmil
Structure of transhydrogenase (dI.D135N.NAD+)2(dIII.E155W.NADP+)1 asymmetric complex
Descriptor: GLYCEROL, NAD(P) transhydrogenase subunit alpha part 1, NAD(P) transhydrogenase subunit beta, ...
Authors:Brondijk, T.H, van Boxel, G.I, Mather, O.C, Quirk, P.G, White, S.A, Jackson, J.B.
Deposit date:2006-01-23
Release date:2006-02-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Role of Invariant Amino Acid Residues at the Hydride Transfer Site of Proton-translocating Transhydrogenase.
J.Biol.Chem., 281, 2006
1A4U
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BU of 1a4u by Molmil
ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS
Descriptor: ALCOHOL DEHYDROGENASE
Authors:Benach, J, Atrian, S, Gonzalez-Duarte, R, Ladenstein, R.
Deposit date:1998-02-05
Release date:1999-02-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The refined crystal structure of Drosophila lebanonensis alcohol dehydrogenase at 1.9 A resolution.
J.Mol.Biol., 282, 1998
2JJB
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BU of 2jjb by Molmil
Family 37 trehalase from Escherichia coli in complex with casuarine-6- O-alpha-glucopyranose
Descriptor: 1,2-ETHANEDIOL, CASUARINE, PERIPLASMIC TREHALASE, ...
Authors:Gloster, T.M, Roberts, S, Davies, G.J, Cardona, F, Parmeggiani, C, Bonaccini, C, Gratteri, P, Sim, L, Rose, D.R, Goti, A.
Deposit date:2008-03-28
Release date:2009-01-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Total Syntheses of Casuarine and its 6-O-Alpha-Glucoside: Complementary Inhibition Towards Glycoside Hydrolases of the Gh31 and Gh37 Families.
Chemistry, 15, 2009
2CUA
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BU of 2cua by Molmil
THE CUA DOMAIN OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS
Descriptor: DINUCLEAR COPPER ION, PROTEIN (CUA), ZINC ION
Authors:Williams, P.A, Blackburn, N.J, Sanders, D, Bellamy, H, Stura, E.A, Fee, J.A, Mcree, D.E.
Deposit date:1999-02-18
Release date:1999-05-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The CuA domain of Thermus thermophilus ba3-type cytochrome c oxidase at 1.6 A resolution.
Nat.Struct.Biol., 6, 1999
2E76
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BU of 2e76 by Molmil
Crystal Structure of the Cytochrome b6f Complex with tridecyl-stigmatellin (TDS) from M.laminosus
Descriptor: (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE, ...
Authors:Cramer, W.A, Yamashita, E, Zhang, H.
Deposit date:2007-01-05
Release date:2007-06-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Structure of the Cytochrome b(6)f Complex: Quinone Analogue Inhibitors as Ligands of Heme c(n)
J.Mol.Biol., 370, 2007
2E9C
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BU of 2e9c by Molmil
E. coli undecaprenyl pyrophosphate synthase in complex with BPH-675
Descriptor: 1-HYDROXY-2-[3'-(NAPHTHALENE-2-SULFONYLAMINO)-BIPHENYL-3-YL]ETHYLIDENE-1,1-BISPHOSPHONIC ACID, Undecaprenyl pyrophosphate synthetase
Authors:Guo, R.T, Ko, T.P, Cao, R, Liang, P.H, Oldfield, E, Wang, A.H.J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
1ARX
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BU of 1arx by Molmil
CRYSTAL STRUCTURES OF CYANIDE-AND TRIIODIDE-BOUND FORMS OF ARTHROMYCES RAMOSUS PEROXIDASE AT DIFFERENT PH VALUES. PERTURBATIONS OF ACTIVE SITE RESIDUES AND THEIR IMPLICATION IN ENZYME CATALYSIS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ...
Authors:Fukuyama, K, Kunishima, N, Amada, F.
Deposit date:1995-04-25
Release date:1996-01-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of cyanide- and triiodide-bound forms of Arthromyces ramosus peroxidase at different pH values. Perturbations of active site residues and their implication in enzyme catalysis.
J.Biol.Chem., 270, 1995
1ARY
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BU of 1ary by Molmil
CRYSTAL STRUCTURES OF CYANIDE-AND TRIIODIDE-BOUND FORMS OF ARTHROMYCES RAMOSUS PEROXIDASE AT DIFFERENT PH VALUES. PERTURBATIONS OF ACTIVE SITE RESIDUES AND THEIR IMPLICATION IN ENZYME CATALYSIS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ...
Authors:Fukuyama, K, Kunishima, N, Amada, F.
Deposit date:1995-04-25
Release date:1996-01-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of cyanide- and triiodide-bound forms of Arthromyces ramosus peroxidase at different pH values. Perturbations of active site residues and their implication in enzyme catalysis.
J.Biol.Chem., 270, 1995
2E74
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BU of 2e74 by Molmil
Crystal Structure of the Cytochrome b6f Complex from M.laminosus
Descriptor: (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, Apocytochrome f, ...
Authors:Cramer, W.A, Yamashita, E, Zhang, H.
Deposit date:2007-01-05
Release date:2007-06-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the Cytochrome b(6)f Complex: Quinone Analogue Inhibitors as Ligands of Heme c(n)
J.Mol.Biol., 370, 2007
1UOZ
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BU of 1uoz by Molmil
Structure of the endoglucanase Cel6 from Mycobacterium tuberculosis in complex with thiocellopentaose at 1.1 angstrom
Descriptor: 4-thio-beta-D-glucopyranose, GLYCEROL, PUTATIVE CELLULASE, ...
Authors:Varrot, A, Leydier, S, Pell, G, Gilbert, H.J, Davies, G.J.
Deposit date:2003-09-26
Release date:2004-11-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Mycobacterium Tuberculosis Strains Possess Functional Cellulases.
J.Biol.Chem., 280, 2005
1JDC
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BU of 1jdc by Molmil
MUTANT (E219Q) MALTOTETRAOSE-FORMING EXO-AMYLASE COCRYSTALLIZED WITH MALTOTETRAOSE (CRYSTAL TYPE 1)
Descriptor: 1,4-ALPHA MALTOTETRAHYDROLASE, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Yoshioka, Y, Hasegawa, K, Matsuura, Y, Katsube, Y, Kubota, M.
Deposit date:1997-06-16
Release date:1997-10-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of a mutant maltotetraose-forming exo-amylase cocrystallized with maltopentaose.
J.Mol.Biol., 271, 1997
3R6I
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BU of 3r6i by Molmil
AKR1C3 complex with meclofenamic acid
Descriptor: 1,2-ETHANEDIOL, 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C3, ...
Authors:Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J.
Deposit date:2011-03-21
Release date:2012-05-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
2GSD
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BU of 2gsd by Molmil
NAD-dependent formate dehydrogenase from bacterium Moraxella sp.C2 in complex with NAD and azide
Descriptor: AZIDE ION, NAD-dependent formate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Filippova, E.V, Polyakov, K.M, Tikhonova, T.V, Sadykhov, I.G, Shabalin, I.G, Tishkov, V.I, Popov, V.O.
Deposit date:2006-04-26
Release date:2006-05-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the apo and holo forms of formate dehydrogenase from the bacterium Moraxella sp. C-1: towards understanding the mechanism of the closure of the interdomain cleft.
Acta Crystallogr.,Sect.D, 65, 2009
1OVW
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BU of 1ovw by Molmil
ENDOGLUCANASE I COMPLEXED WITH NON-HYDROLYSABLE SUBSTRATE ANALOGUE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-thio-beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-1,4-dithio-beta-D-glucopyranose, ENDOGLUCANASE I
Authors:Sulzenbacher, G, Davies, G.J, Schulein, M.
Deposit date:1996-10-17
Release date:1997-10-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the Fusarium oxysporum endoglucanase I with a nonhydrolyzable substrate analogue: substrate distortion gives rise to the preferred axial orientation for the leaving group.
Biochemistry, 35, 1996
2E86
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BU of 2e86 by Molmil
Azide bound to copper containing nitrite reductase from A. faecalis S-6
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, AZIDE ION, ...
Authors:Tocheva, E.I, Murphy, M.E.P.
Deposit date:2007-01-19
Release date:2008-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conserved Active Site Residues Limit Inhibition of a Copper-Containing Nitrite Reductase by Small Molecules.
Biochemistry, 47, 2008
3R7M
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BU of 3r7m by Molmil
AKR1C3 complex with sulindac
Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J.
Deposit date:2011-03-22
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
1B16
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BU of 1b16 by Molmil
ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS TERNARY COMPLEX WITH NAD-3-PENTANONE
Descriptor: NICOTINAMIDE ADENINE DINUCLEOTIDE 3-PENTANONE ADDUCT, PROTEIN (ALCOHOL DEHYDROGENASE)
Authors:Benach, J, Atrian, S, Gonzalez-Duarte, R, Ladenstein, R.
Deposit date:1998-11-25
Release date:1999-11-29
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The catalytic reaction and inhibition mechanism of Drosophila alcohol dehydrogenase: observation of an enzyme-bound NAD-ketone adduct at 1.4 A resolution by X-ray crystallography.
J.Mol.Biol., 289, 1999
3U8N
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BU of 3u8n by Molmil
Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3950 (1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane)
Descriptor: 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ...
Authors:Rohde, L.A.H, Ahring, P.K, Jensen, M.L, Nielsen, E.O, Peters, D, Helgstrand, C, Krintel, C, Harpsoe, K, Gajhede, M, Kastrup, J.S, Balle, T.
Deposit date:2011-10-17
Release date:2011-12-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Intersubunit bridge formation governs agonist efficacy at nicotinic acetylcholine alpha 4 beta 2 receptors: unique role of halogen bonding revealed.
J.Biol.Chem., 287, 2012
1MW0
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BU of 1mw0 by Molmil
Amylosucrase mutant E328Q co-crystallized with maltoheptaose then soaked with maltoheptaose.
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, amylosucrase, ...
Authors:Skov, L.K, Mirza, O, Sprogoe, D, Dar, I, Remaud-Simeon, M, Albenne, C, Monsan, P, Gajhede, M.
Deposit date:2002-09-27
Release date:2002-12-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Oligosaccharide and Sucrose Complexes of Amylosucrase. STRUCTURAL IMPLICATIONS FOR THE POLYMERASE ACTIVITY
J.BIOL.CHEM., 277, 2002
2IZZ
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BU of 2izz by Molmil
Crystal structure of human pyrroline-5-carboxylate reductase
Descriptor: 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRROLINE-5-CARBOXYLATE REDUCTASE 1
Authors:Pike, A.C.W, Guo, K, Kavanagh, K, Pilka, E.S, Berridge, G, Colebrook, S, Bray, J, Salah, E, Savitsky, P, Papagrigoriou, E, Turnbull, A.P, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U.
Deposit date:2006-07-31
Release date:2006-08-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Human Pyrroline-5-Carboxylate Reductase
To be Published
4L6V
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BU of 4l6v by Molmil
Crystal structure of a virus like photosystem I from the cyanobacterium Synechocystis PCC 6803
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Mazor, Y, Nataf, D, Toporik, H, Nelson, N.
Deposit date:2013-06-13
Release date:2014-02-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Crystal structures of virus-like photosystem I complexes from the mesophilic cyanobacterium Synechocystis PCC 6803.
Elife, 3, 2014
9DU1
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BU of 9du1 by Molmil
Co-crystal structure of the ternary complex of human FKBP12, BRD9 bromo domain and Compound 1
Descriptor: 4-[4-{cyclopropyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}-6-({1-[(2R)-2-{[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]amino}-4-(4-methoxyphenyl)butanoyl]piperidin-4-yl}amino)-1,3,5-triazin-2-yl]-N-ethylpiperazine-1-carboxamide, Bromodomain-containing protein 9, GLYCEROL, ...
Authors:Romanowski, M.J, Viscomi, J.S.
Deposit date:2024-10-02
Release date:2025-10-08
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Ternary complex DNA-encoded library screening uncovers FKBP molecular glues
To Be Published
3QVR
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BU of 3qvr by Molmil
Crystal structure of glucose oxidase for space group P3121 at 1.3 A resolution.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kommoju, P, Chen, Z, Bruckner, R.C, Mathews, F.S, Jorns, M.S.
Deposit date:2011-02-25
Release date:2011-06-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Probing oxygen activation sites in two flavoprotein oxidases using chloride as an oxygen surrogate.
Biochemistry, 50, 2011
3X2M
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BU of 3x2m by Molmil
X-ray structure of PcCel45A with cellopentaose at 0.64 angstrom resolution.
Descriptor: Endoglucanase V-like protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Nakamura, A, Ishida, T, Samejima, M, Igarashi, K.
Deposit date:2014-12-22
Release date:2015-10-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (0.64 Å)
Cite:"Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015

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