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2RG0
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BU of 2rg0 by Molmil
Crystal structure of cellobiohydrolase from Melanocarpus albomyces complexed with cellotetraose
Descriptor: Cellulose 1,4-beta-cellobiosidase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Parkkinen, T, Koivula, A, Vehmaanper, J, Rouvinen, J.
Deposit date:2007-10-02
Release date:2008-09-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of Melanocarpus albomyces cellobiohydrolase Cel7B in complex with cello-oligomers show high flexibility in the substrate binding
Protein Sci., 17, 2008
6AG0
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The X-ray Crystallographic Structure of Maltooligosaccharide-forming Amylase from Bacillus stearothermophilus STB04
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-amylase, CALCIUM ION
Authors:Li, Z.F, Li, Y.L, Ban, X.F, Zhang, C.Y, Jin, T.C, Xie, X.F, Gu, Z.B, Li, C.M.
Deposit date:2018-08-09
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a maltooligosaccharide-forming amylase from Bacillus stearothermophilus STB04.
Int.J.Biol.Macromol., 138, 2019
4PO8
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Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-CR
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ...
Authors:Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
Deposit date:2014-02-25
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
3HFB
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BU of 3hfb by Molmil
Crystal structure of human tryoptophan hydroxylase type 1 with LP-534193
Descriptor: 4-(5-{[(2'-methylbiphenyl-2-yl)methyl]amino}pyrazin-2-yl)-L-phenylalanine, FE (III) ION, Tryptophan 5-hydroxylase 1
Authors:Tari, L.W, Swanson, R.V, Hunter, M.J.
Deposit date:2009-05-11
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Mechanism of Inhibition of Novel Tryptophan Hydroxylase Inhibitors Revealed by Co-crystal Structures and Kinetic Analysis.
Curr Chem Genomics, 4, 2010
6AFD
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DJ-1 with compound 6
Descriptor: 7-methyl-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
3HG5
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BU of 3hg5 by Molmil
Human alpha-galactosidase catalytic mechanism 4. Product bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, Alpha-galactosidase A, ...
Authors:Guce, A.I, Clark, N.E, Garman, S.C.
Deposit date:2009-05-13
Release date:2009-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Catalytic mechanism of human alpha-galactosidase.
J.Biol.Chem., 285, 2010
2RMZ
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BU of 2rmz by Molmil
Bicelle-embedded integrin beta3 transmembrane segment
Descriptor: Integrin beta-3
Authors:Lau, T.L, Partridge, A.W, Ginsberg, M.H, Ulmer, T.S.
Deposit date:2007-12-04
Release date:2008-03-18
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of the Integrin beta3 Transmembrane Segment in Phospholipid Bicelles and Detergent Micelles
Biochemistry, 47, 2008
4L2O
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BU of 4l2o by Molmil
Crystal structure of human ALDH3A1 with its selective inhibitor 1-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole
Descriptor: 1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole, ACETATE ION, Aldehyde dehydrogenase, ...
Authors:Hurley, T.D, Parajuli, B.
Deposit date:2013-06-04
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.937 Å)
Cite:Crystal structure of human ALDH3A1 with its selective inhibitor 1-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole
J.Med.Chem., 2014
4L3G
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Crystal Structure of the E113Q-MauG/pre-Methylamine Dehydrogenase Complex Aged 120 Days
Descriptor: ACETATE ION, CALCIUM ION, HEME C, ...
Authors:Yukl, E.T, Wilmot, C.M.
Deposit date:2013-06-05
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Carboxyl Group of Glu113 Is Required for Stabilization of the Diferrous and Bis-Fe(IV) States of MauG.
Biochemistry, 52, 2013
7PFP
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BU of 7pfp by Molmil
Full-length cryo-EM structure of the native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B.
Deposit date:2021-08-11
Release date:2022-03-16
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
6IH6
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BU of 6ih6 by Molmil
Phosphite Dehydrogenase mutant I151R/P176R/M207A from Ralstonia sp. 4506 in complex with non-natural cofactor Nicotinamide Cytosine dinucleotide
Descriptor: Phosphite dehydrogenase, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Song, X, Feng, Y, Liu, Y, Zhao, Z.
Deposit date:2018-09-28
Release date:2019-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.491 Å)
Cite:Structural Insights into Phosphite Dehydrogenase Variants Favoring a Non-natural Redox Cofactor
Acs Catalysis, 9, 2019
4L4D
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BU of 4l4d by Molmil
Structure of cyanide and camphor bound P450cam mutant L358A
Descriptor: CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ...
Authors:Batabyal, D, Li, H, Poulos, T.L.
Deposit date:2013-06-07
Release date:2013-07-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1.
Biochemistry, 52, 2013
3HG4
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BU of 3hg4 by Molmil
Human alpha-galactosidase catalytic mechanism 3. Covalent intermediate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guce, A.I, Clark, N.E, Garman, S.C.
Deposit date:2009-05-13
Release date:2009-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Catalytic mechanism of human alpha-galactosidase.
J.Biol.Chem., 285, 2010
4L4O
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BU of 4l4o by Molmil
The crystal structure of CbXyn10B in native form
Descriptor: Endo-1,4-beta-xylanase, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM
Authors:An, J, Feng, Y, Wu, G.
Deposit date:2013-06-08
Release date:2014-05-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of CbXyn10B from Caldicellulosiruptor bescii and its mutant(E139A) in complex with xylotriose
To be Published
5XTU
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BU of 5xtu by Molmil
Crystal Structure of GDSL Esterase of Photobacterium sp. J15
Descriptor: 1,2-ETHANEDIOL, CACODYLATE ION, CALCIUM ION, ...
Authors:Mazlan, S.N.H.S, Jonet, M.A, Leow, T.C, Ali, M.S.M, Rahman, R.N.Z.R.A.
Deposit date:2017-06-21
Release date:2018-10-10
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Crystallization and structure elucidation of GDSL esterase of Photobacterium sp. J15.
Int. J. Biol. Macromol., 119, 2018
4PQF
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BU of 4pqf by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIB-CR
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ...
Authors:Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
Deposit date:2014-03-03
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
7PKJ
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BU of 7pkj by Molmil
Streptococcus pyogenes apo GapN
Descriptor: BETA-MERCAPTOETHANOL, GLYCEROL, Putative NADP-dependent glyceraldehyde-3-phosphate dehydrogenase, ...
Authors:Schindelin, H, Albert, L.
Deposit date:2021-08-25
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.989 Å)
Cite:The Non-phosphorylating Glyceraldehyde-3-Phosphate Dehydrogenase GapN Is a Potential New Drug Target in Streptococcus pyogenes.
Front Microbiol, 13, 2022
3E5R
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BU of 3e5r by Molmil
Crystal structure and Functional Analysis of Glyceraldehyde-3-phosphate Dehydrogenase from Oryza Sativa
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, cytosolic, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Tien, Y.C, Lin, Y.H, Chang, S.L, Chen, C.J.
Deposit date:2008-08-14
Release date:2009-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure and Functional Analysis of Glyceraldehyde-3-phosphate Dehydrogenase from Oryza Sativa
To be published
4PRQ
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BU of 4prq by Molmil
CRYSTAL STRUCTURE OF HEN EGG-WHITE LYSOZYME IN COMPLEX WITH SCLX4 AT 1.72 A RESOLUTION
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, HEXAETHYLENE GLYCOL, ...
Authors:McGovern, R.E, McCarthy, A.A, Crowley, P.B.
Deposit date:2014-03-06
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Protein assembly mediated by sulfonatocalix[4]arene.
Chem.Commun.(Camb.), 50, 2014
4PQR
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Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIB-BN
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ...
Authors:Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
Deposit date:2014-03-04
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
5XBU
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BU of 5xbu by Molmil
Crystal structure of GH45 endoglucanase EG27II in apo-form
Descriptor: Endo-beta-1,4-glucanase
Authors:Nomura, T, Mizutani, K, Iwase, H, Takahashi, N, Mikami, B.
Deposit date:2017-03-21
Release date:2018-03-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:High-resolution crystal structures of the glycoside hydrolase family 45 endoglucanase EG27II from the snail Ampullaria crossean.
Acta Crystallogr D Struct Biol, 75, 2019
4PR0
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BU of 4pr0 by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-N3
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ...
Authors:Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
Deposit date:2014-03-05
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
7Q3N
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BU of 7q3n by Molmil
Cryo-EM of the complex between human uromodulin (UMOD)/Tamm-Horsfall protein (THP) and the FimH lectin domain from uropathogenic E. coli
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Type 1 fimbiral adhesin FimH, ...
Authors:Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B.
Deposit date:2021-10-28
Release date:2022-03-16
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (7.4 Å)
Cite:Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
3HHX
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BU of 3hhx by Molmil
Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with pyrogallol
Descriptor: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, BENZENE-1,2,3-TRIOL, Catechol 1,2-dioxygenase, ...
Authors:Matera, I, Ferraroni, M, Briganti, F.
Deposit date:2009-05-18
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts.
J.Struct.Biol., 170, 2010
7VDO
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BU of 7vdo by Molmil
Crystal structure of KRED F147L/L153Q/Y190P variant
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, ...
Authors:Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J.
Deposit date:2021-09-07
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85571563 Å)
Cite:Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022

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