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1AL7
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BU of 1al7 by Molmil
THREE-DIMENSIONAL STRUCTURES OF GLYCOLATE OXIDASE WITH BOUND ACTIVE-SITE INHIBITORS
Descriptor: 4-CARBOXY-5-(1-PENTYL)HEXYLSULFANYL-1,2,3-TRIAZOLE, FLAVIN MONONUCLEOTIDE, GLYCOLATE OXIDASE
Authors:Stenberg, K, Lindqvist, Y.
Deposit date:1997-06-12
Release date:1997-11-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Three-dimensional structures of glycolate oxidase with bound active-site inhibitors.
Protein Sci., 6, 1997
5OR3
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BU of 5or3 by Molmil
Crystal structure of Aspergillus oryzae catechol oxidase in met/deoxy-form
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hakulinen, N, Penttinen, L, Rutanen, C, Rouvinen, J.
Deposit date:2017-08-15
Release date:2018-05-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:A new crystal form of Aspergillus oryzae catechol oxidase and evaluation of copper site structures in coupled binuclear copper enzymes.
PLoS ONE, 13, 2018
1C5I
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BU of 1c5i by Molmil
HYDROGEN BONDING AND CATALYSIS: AN UNEXPECTED EXPLANATION FOR HOW A SINGLE AMINO ACID SUBSTITUTION CAN CHANGE THE PH OPTIMUM OF A GLYCOSIDASE
Descriptor: ENDO-1,4-BETA-XYLANASE, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol
Authors:Joshi, M.D, Sidhu, G, Pot, I, Brayer, G.D, Withers, S.G, Mcintosh, L.P.
Deposit date:1999-11-24
Release date:2000-05-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hydrogen bonding and catalysis: a novel explanation for how a single amino acid substitution can change the pH optimum of a glycosidase.
J.Mol.Biol., 299, 2000
2I5N
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BU of 2i5n by Molmil
1.96 A X-ray structure of photosynthetic reaction center from Rhodopseudomonas viridis:Crystals grown by microfluidic technique
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Li, L, Mustafi, D, Fu, Q, Tereshko, V, Chen, D.L, Tice, J.D, Ismagilov, R.F.
Deposit date:2006-08-25
Release date:2006-09-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Nanoliter microfluidic hybrid method for simultaneous screening and optimization validated with crystallization of membrane proteins.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2I3A
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BU of 2i3a by Molmil
Crystal structure of N-Acetyl-gamma-Glutamyl-Phosphate Reductase (Rv1652) from Mycobacterium tuberculosis
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-gamma-glutamyl-phosphate reductase
Authors:Cherney, L.T, Cherney, M.M, Garen, C.R, Moraidin, F, James, M.N.G, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2006-08-17
Release date:2006-08-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of N-acetyl-gamma-glutamyl-phosphate Reductase from Mycobacterium tuberculosis in Complex with NADP(+).
J.Mol.Biol., 367, 2007
2I3Y
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BU of 2i3y by Molmil
Crystal structure of human glutathione peroxidase 5
Descriptor: 1,2-ETHANEDIOL, Epididymal secretory glutathione peroxidase
Authors:Kavanagh, K.L, Johansson, C, Rojkova, A, Umeano, C, Bunkoczi, G, Gileadi, O, von Delft, F, Weigelt, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-08-21
Release date:2006-09-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human glutathione peroxidase 5
To be published
3QMO
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BU of 3qmo by Molmil
X-ray crystal structure of NS-398 bound to the cyclooxygenase channel of cyclooxygenase-2
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vecchio, A.J, Malkowski, M.G.
Deposit date:2011-02-04
Release date:2011-08-03
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of NS-398 bound to cyclooxygenase-2.
J.Struct.Biol., 176, 2011
3QF1
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BU of 3qf1 by Molmil
Crystal structure of the complex of caprine lactoperoxidase with diethylenediamine at 2.6A resolution
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pandey, N, Singh, R.P, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2011-01-21
Release date:2011-04-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the complex of caprine lactoperoxidase with diethylenediamine at 2.6A resolution
To be Published
3U8K
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BU of 3u8k by Molmil
Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3573 (1-(5-ethoxypyridin-3-yl)-1,4-diazepane)
Descriptor: 1-(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:2024-10-16
Method:X-RAY DIFFRACTION (2.47 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
3R1Q
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BU of 3r1q by Molmil
CDK2 in complex with inhibitor KVR-1-102
Descriptor: 1,2-ETHANEDIOL, 4-chloro-2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-11
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
2LSQ
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BU of 2lsq by Molmil
Analog of the fragment 197-221 of beta-1 adrenoreceptor
Descriptor: ANALOG OF THE FRAGMENT 197-221 OF BETA-1 ADRENORECEPTOR
Authors:Bushuev, V.N, Zykov, K.A, Bespalova, Z.D, Bibilashvili, R.S, Efremov, E.E, Golitsyn, S.P, Kaznacheeva, L.I, Kuzhetsova, T.V, Levashov, P.S, Masenko, V.P, Mironova, N.A, Molokoedov, F.S, Rutkevich, P.N, Rvacheva, A.V, Sharf, T.V, Sidorova, M.V, Vlasik, T.N, Yanushevskaya, E.V.
Deposit date:2012-05-04
Release date:2013-05-08
Last modified:2024-11-27
Method:SOLUTION NMR
Cite:Analog of the fragment 197-221 of 1-adrenoreceptor
To be Published
2YOR
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BU of 2yor by Molmil
Crystallization of a 45 kDa peroxygenase- peroxidase from the mushroom Agrocybe aegerita and structure determination by SAD utilizing only the haem iron
Descriptor: 1H-imidazol-5-ylmethanol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Piontek, K, Strittmatter, E, Ullrich, R, Plattner, D.A, Hofrichter, M.
Deposit date:2012-10-26
Release date:2013-10-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural Basis of Substrate Conversion in a New Aromatic Peroxygenase: P450 Functionality with Benefits
J.Biol.Chem., 288, 2013
2JLP
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BU of 2jlp by Molmil
Crystal structure of human extracellular copper-zinc superoxide dismutase.
Descriptor: COPPER (II) ION, EXTRACELLULAR SUPEROXIDE DISMUTASE (CU-ZN), THIOCYANATE ION, ...
Authors:Antonyuk, S.V, Strange, R.W, Marklund, S.L, Hasnain, S.S.
Deposit date:2008-09-14
Release date:2009-03-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structure of Human Extracellular Copper-Zinc Superoxide Dismutase at 1.7 A Resolution: Insights Into Heparin and Collagen Binding.
J.Mol.Biol., 388, 2009
1CK6
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BU of 1ck6 by Molmil
BINDING MODE OF SALICYLHYDROXAMIC ACID TO ARTHROMYCES RAMOSUS PEROXIDASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PROTEIN (PEROXIDASE), ...
Authors:Fukuyama, K, Itakura, H.
Deposit date:1999-04-28
Release date:1999-12-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Binding of salicylhydroxamic acid and several aromatic donor molecules to Arthromyces ramosus peroxidase, investigated by X-ray crystallography, optical difference spectroscopy, NMR relaxation, molecular dynamics, and kinetics.
Biochemistry, 38, 1999
1BVV
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BU of 1bvv by Molmil
SUGAR RING DISTORTION IN THE GLYCOSYL-ENZYME INTERMEDIATE OF A FAMILY G/11 XYLANASE
Descriptor: ENDO-1,4-BETA-XYLANASE, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol
Authors:Sidhu, G, Brayer, G.D.
Deposit date:1998-09-18
Release date:1999-06-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Sugar ring distortion in the glycosyl-enzyme intermediate of a family G/11 xylanase.
Biochemistry, 38, 1999
2E95
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BU of 2e95 by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-675
Descriptor: 1-HYDROXY-2-[3'-(NAPHTHALENE-2-SULFONYLAMINO)-BIPHENYL-3-YL]ETHYLIDENE-1,1-BISPHOSPHONIC ACID, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Guo, R.T, Cao, R, Ko, T.P, Jeng, W.Y, Chang, T.H, Chen, C.K.-M, 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 (2.2 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
2IZ0
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BU of 2iz0 by Molmil
PEX inhibitor-home data
Descriptor: 1,2-ETHANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ...
Authors:Sundaramoorthy, R, Iulek, J, Hunter, W.N.
Deposit date:2006-07-23
Release date:2007-01-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of a Bacterial 6- Phosphogluconate Dehydrogenase Reveal Aspects of Specificity, Mechanism and Mode of Inhibition by Analogues of High-Energy Reaction Intermediates.
FEBS J., 274, 2007
2IPJ
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BU of 2ipj by Molmil
Crystal structure of h3alpha-hydroxysteroid dehydrogenase type 3 mutant Y24A in complex with NADP+ and epi-testosterone
Descriptor: (10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, ...
Authors:Faucher, F, Cantin, L, Pereira de Jesus-Tran, K, Luu-the, V, Labrie, F, Breton, R.
Deposit date:2006-10-12
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mouse 17alpha-Hydroxysteroid Dehydrogenase (AKR1C21) Binds Steroids Differently from other Aldo-keto Reductases: Identification and Characterization of Amino Acid Residues Critical for Substrate Binding.
J.Mol.Biol., 369, 2007
1H86
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BU of 1h86 by Molmil
COVALENT ADDUCT BETWEEN POLYAMINE OXIDASE AND N1ethylN11((cycloheptyl)methyl)4,8diazaundecane at pH 7.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(3-{[3-(METHYLAMINO)PROPYL]AMINO}PROPYL)AMINO]PROPANE-1,1-DIOL, ...
Authors:Binda, C, Coda, A, Angelini, R, Federico, R, Ascenzi, P, Mattevi, A.
Deposit date:2001-01-24
Release date:2001-01-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Bases for Inhibitor Binding and Catalysis in Polyamine Oxidase
Biochemistry, 40, 2001
2IPG
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BU of 2ipg by Molmil
Crystal structure of 17alpha-hydroxysteroid dehydrogenase mutant K31A in complex with NADP+ and epi-testosterone
Descriptor: (10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE, 1,2-ETHANEDIOL, 3(17)alpha-hydroxysteroid dehydrogenase, ...
Authors:Faucher, F, Cantin, L, Pereira de Jesus-Tran, K, Lemieux, M, Luu-the, V, Labrie, F, Breton, R.
Deposit date:2006-10-12
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mouse 17alpha-Hydroxysteroid Dehydrogenase (AKR1C21) Binds Steroids Differently from other Aldo-keto Reductases: Identification and Characterization of Amino Acid Residues Critical for Substrate Binding.
J.Mol.Biol., 369, 2007
2I3G
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BU of 2i3g by Molmil
Crystal structure of N-Acetyl-gamma-Glutamyl-Phosphate Reductase (Rv1652) from Mycobacterium tuberculosis in complex with NADP+.
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-gamma-glutamyl-phosphate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cherney, L.T, Cherney, M.M, Garen, C.R, Moraidin, F, James, M.N.G, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB), TB Structural Genomics Consortium (TBSGC)
Deposit date:2006-08-18
Release date:2006-09-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of N-acetyl-gamma-glutamyl-phosphate Reductase from Mycobacterium tuberculosis in Complex with NADP(+).
J.Mol.Biol., 367, 2007
4LPC
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BU of 4lpc by Molmil
Crystal Structure of E.Coli Branching Enzyme in complex with maltoheptaose
Descriptor: 1,4-alpha-glucan branching enzyme GlgB, GLYCEROL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Feng, L, Geiger, J.H.
Deposit date:2013-07-16
Release date:2015-04-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Crystal Structures of Escherichia coli Branching Enzyme in Complex with Linear Oligosaccharides.
Biochemistry, 54, 2015
2FBW
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BU of 2fbw by Molmil
Avian respiratory complex II with carboxin bound
Descriptor: (~{Z})-2-oxidanylbut-2-enedioic acid, 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, AZIDE ION, ...
Authors:Huang, L.S, Sun, G, Cobessi, D, Wang, A.C, Shen, J.T, Tung, E.Y, Anderson, V.E, Berry, E.A.
Deposit date:2005-12-10
Release date:2005-12-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:3-nitropropionic acid is a suicide inhibitor of mitochondrial respiration that, upon oxidation by complex II, forms a covalent adduct with a catalytic base arginine in the active site of the enzyme.
J.Biol.Chem., 281, 2006
5T03
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BU of 5t03 by Molmil
Crystal structure of heparan sulfate 6-O-sulfotransferase with bound PAP and glucuronic acid containing hexasaccharide substrate
Descriptor: 1,2-ETHANEDIOL, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, ...
Authors:Pedersen, L.C, Moon, A.F, Krahn, J.M, Liu, J.
Deposit date:2016-08-15
Release date:2017-02-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure Based Substrate Specificity Analysis of Heparan Sulfate 6-O-Sulfotransferases.
ACS Chem. Biol., 12, 2017
2MBX
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BU of 2mbx by Molmil
Structure, dynamics and stability of allergen cod parvalbumin Gad m 1 by solution and high-pressure NMR.
Descriptor: CALCIUM ION, Parvalbumin beta
Authors:Moraes, A.H, Ackerbauer, D, Bublin, M, Ferreira, F, Almeida, F.C.L, Breiteneder, H, Valente, A.
Deposit date:2013-08-07
Release date:2014-08-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution and high-pressure NMR studies of the structure, dynamics, and stability of the cross-reactive allergenic cod parvalbumin Gad m 1.
Proteins, 82, 2014

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數據於2025-10-08公開中

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