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2ZMA
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BU of 2zma by Molmil
Crystal Structure of 6-Aminohexanoate-dimer Hydrolase S112A/G181D/H266N/D370Y Mutant with Substrate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
Authors:Ohki, T, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S.
Deposit date:2008-04-14
Release date:2009-04-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold
Febs J., 276, 2009
2OA2
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BU of 2oa2 by Molmil
Crystal structure of BH2720 (10175341) from Bacillus halodurans at 1.41 A resolution
Descriptor: BH2720 protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-12-14
Release date:2007-01-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystal structure of BH2720 (10175341) from Bacillus halodurans at 1.41 A resolution
To be published
2ZO5
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BU of 2zo5 by Molmil
Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase in a complex with azide
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AZIDE ION, ...
Authors:Polyakov, K.M, Boyko, K.M, Slutsky, A, Tikhonova, T.V, Antipov, A.N, Zvyagilskaya, R.A, Popov, A.N, Lamzin, V.S, Bourenkov, G.P, Popov, V.O.
Deposit date:2008-05-05
Release date:2009-05-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-resolution structural analysis of a novel octaheme cytochrome c nitrite reductase from the haloalkaliphilic bacterium Thioalkalivibrio nitratireducens
J.Mol.Biol., 389, 2009
4AWJ
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BU of 4awj by Molmil
pVHL:EloB:EloC complex, in complex with capped Hydroxyproline
Descriptor: (4R)-1-acetyl-4-hydroxy-N-methyl-L-prolinamide, ACETATE ION, ACETIC ACID, ...
Authors:Van Molle, I, Thomann, A, Buckley, D.L, So, E.C, Lang, S, Crews, C.M, Ciulli, A.
Deposit date:2012-06-04
Release date:2012-11-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
3RK6
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BU of 3rk6 by Molmil
Crystal structure of the middle domain of human Paip1
Descriptor: Polyadenylate-binding protein-interacting protein 1
Authors:Lei, J, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-04-17
Release date:2011-05-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the middle domain of human poly(A)-binding protein-interacting protein 1.
Biochem.Biophys.Res.Commun., 408, 2011
2OJJ
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BU of 2ojj by Molmil
Crystal structure of ERK2 in complex with (S)-N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2ASC
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BU of 2asc by Molmil
Scorpion toxin LQH-alpha-IT
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, ETHANOL, ...
Authors:Kahn, R, Karbat, I, Gurevitz, M, Frolow, F.
Deposit date:2005-08-23
Release date:2006-09-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:X-ray structures of Lqh-alpha-IT and Lqh-alpha-IT8D9D10V mutant
To be Published
2JF4
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BU of 2jf4 by Molmil
Family 37 trehalase from Escherichia coli in complex with validoxylamine
Descriptor: (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, PERIPLASMIC TREHALASE
Authors:Gibson, R.P, Gloster, T.M, Roberts, S, Warren, R.A.J, Storch De Gracia, I, Garcia, A, Chiara, J.L, Davies, G.J.
Deposit date:2007-01-25
Release date:2007-02-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular Basis for Trehalase Inhibition Revealed by the Structure of Trehalase in Complex with Potent Inhibitors.
Angew.Chem.Int.Ed.Engl., 46, 2007
3ZZK
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BU of 3zzk by Molmil
Structure of an engineered aspartate aminotransferase
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ASPARTATE AMINOTRANSFERASE, GLYCEROL, ...
Authors:Fernandez, F.J, deVries, D, Pena-Soler, E, Coll, M, Christen, P, Gehring, H, Vega, M.C.
Deposit date:2011-09-01
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure and Mechanism of a Cysteine Sulfinate Desulfinase Engineered on the Aspartate Aminotransferase Scaffold.
Biocim.Biophys.Acta, 1824, 2011
3RN8
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BU of 3rn8 by Molmil
Crystal Structure of iGluR2 Ligand Binding Domain and Symmetrical Carboxyl Containing Potentiator
Descriptor: 3,3'-benzene-1,4-diylbis(4-cyano-5-ethylthiophene-2-carboxylic acid), ACETATE ION, GLUTAMIC ACID, ...
Authors:Timm, D.E.
Deposit date:2011-04-22
Release date:2011-05-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and functional analysis of two new positive allosteric modulators of GluA2 desensitization and deactivation.
Mol.Pharmacol., 80, 2011
5E76
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BU of 5e76 by Molmil
Crystal structure of Bacova_02651 with xylogluco-oligosaccharide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Koropatkin, N.M.
Deposit date:2015-10-11
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Dissection of Xyloglucan Recognition in a Prominent Human Gut Symbiont.
Mbio, 7, 2016
2QQI
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BU of 2qqi by Molmil
Crystal Structure of the b1b2 Domains from Human Neuropilin-1
Descriptor: GLYCEROL, Neuropilin-1
Authors:Appleton, B.A, Desmarais, W, Wiesmann, C.
Deposit date:2007-07-26
Release date:2007-11-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding
Embo J., 26, 2007
5DLW
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BU of 5dlw by Molmil
Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA) and lysophosphatidic acid (LPA)
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid, CALCIUM ION, ...
Authors:Keune, W.J, Heidebrecht, T, Joosten, R.P, Perrakis, A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling.
Nat Commun, 7, 2016
1V0L
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BU of 1v0l by Molmil
Xylanase Xyn10A from Streptomyces lividans in complex with xylobio-isofagomine at pH 5.8
Descriptor: ENDO-1,4-BETA-XYLANASE A, PIPERIDINE-3,4-DIOL, beta-D-xylopyranose
Authors:Gloster, T.M, Williams, S.J, Roberts, S, Tarling, C.A, Wicki, J, Withers, S.G, Davies, G.J.
Deposit date:2004-03-31
Release date:2004-08-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Atomic Resolution Analyses of the Binding of Xylobiose-Derived Deoxynojirimycin and Isofagomine to Xylanase Xyn10A
Chem.Commun.(Camb.), 16, 2004
1V2A
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BU of 1v2a by Molmil
Glutathione S-transferase 1-6 from Anopheles dirus species B
Descriptor: GLUTATHIONE SULFONIC ACID, glutathione transferase gst1-6
Authors:Oakley, A.J.
Deposit date:2003-10-10
Release date:2003-10-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification, characterization and structure of a new Delta class glutathione transferase isoenzyme.
Biochem.J., 388, 2005
2QKK
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BU of 2qkk by Molmil
Human RNase H catalytic domain mutant D210N in complex with 14-mer RNA/DNA hybrid
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*GP*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*CP*G)-3', ...
Authors:Nowotny, M, Gaidamakov, S.A, Ghirlando, R, Cerritelli, S.M, Crouch, R.J, Yang, W.
Deposit date:2007-07-11
Release date:2007-11-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of Human RNase H1 Complexed with an RNA/DNA Hybrid: Insight into HIV Reverse Transcription
Mol.Cell, 28, 2007
3BKQ
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BU of 3bkq by Molmil
Structure of the P368G mutant of PMM/PGM in complex with its substrate
Descriptor: 1-O-phosphono-alpha-D-glucopyranose, Phosphomannomutase/phosphoglucomutase, ZINC ION
Authors:Mehra-Chaudhary, R, Beamer, L.J.
Deposit date:2007-12-07
Release date:2008-09-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Backbone flexibility, conformational change, and catalysis in a phosphohexomutase from Pseudomonas aeruginosa.
Biochemistry, 47, 2008
6ETY
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BU of 6ety by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor JHU3371
Descriptor: (2~{S})-2-[[(2~{R})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barinka, C, Novakova, Z, Motlova, L.
Deposit date:2017-10-27
Release date:2018-11-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors.
Bioorg.Med.Chem., 27, 2019
3RB6
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BU of 3rb6 by Molmil
Dpo4 extension ternary complex with 3'-terminal primer A base opposite the 3-methylcytosine (m3c) lesion
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Rechkoblit, O, Patel, D.J.
Deposit date:2011-03-28
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Implications for damage recognition during Dpo4-mediated mutagenic bypass of m1G and m3C lesions.
Structure, 19, 2011
3ITB
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BU of 3itb by Molmil
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in complex with a substrate fragment
Descriptor: D-alanyl-D-alanine carboxypeptidase DacC, Peptidoglycan substrate (AMV)A(FGA)K(DAL)(DAL), SULFATE ION, ...
Authors:Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K.
Deposit date:2009-08-27
Release date:2009-10-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
2EUF
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BU of 2euf by Molmil
X-ray structure of human CDK6-Vcyclin in complex with the inhibitor PD0332991
Descriptor: 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, ACETATE ION, CALCIUM ION, ...
Authors:Schulze-Gahmen, U, Lu, H.
Deposit date:2005-10-28
Release date:2006-07-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Toward understanding the structural basis of cyclin-dependent kinase 6 specific inhibition.
J.Med.Chem., 49, 2006
2EWY
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BU of 2ewy by Molmil
Crystal structure of human BACE2 in complex with a hydroxyethylenamine transition-state inhibitor
Descriptor: Beta-secretase 2, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-10-CARBOXAMIDE
Authors:Ostermann, N.
Deposit date:2005-11-07
Release date:2006-11-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of human BACE2 in complex with a hydroxyethylamine transition state inhibitor
J.Mol.Biol., 355, 2006
2Z54
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BU of 2z54 by Molmil
The Influence of I47A Mutation on Reduced Susceptibility to the Protease Inhibitor Lopinavir
Descriptor: BETA-MERCAPTOETHANOL, HIV-1 Protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE
Authors:Brynda, J, Klara, S, Kozisek, M, Lepsik, M, Machala, L, Konvalinka, J.
Deposit date:2007-06-28
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Enzymatic and structural analysis of the I47A mutation contributing to the reduced susceptibility to HIV protease inhibitor lopinavir.
Protein Sci., 17, 2008
3RJ3
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BU of 3rj3 by Molmil
Complement components factor H CCP19-20 (S1191L mutant) and C3D in complex
Descriptor: Complement C3d fragment, Complement Factor H-related protein 1, GLYCEROL
Authors:Morgan, H.P, Hannan, J.P.
Deposit date:2011-04-15
Release date:2012-03-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and functional characterization of the product of disease-related factor h gene conversion.
Biochemistry, 51, 2012
2C2B
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BU of 2c2b by Molmil
Crystallographic structure of Arabidopsis thaliana Threonine synthase complexed with pyridoxal phosphate and S-adenosylmethionine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYRIDOXAL-5'-PHOSPHATE, S-ADENOSYLMETHIONINE, ...
Authors:Mas-Droux, C, Biou, V, Dumas, R.
Deposit date:2005-09-27
Release date:2005-11-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosteric Threonine Synthase: Reorganization of the Pyridoxal Phosphate Site Upon Asymmetric Activation Through S-Adenosylmethionine Binding to a Novel Site.
J.Biol.Chem., 281, 2006

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