6RBM
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![BU of 6rbm by Molmil](/molmil-images/mine/6rbm) | TETR(D) E147A MUTANT IN COMPLEX WITH MINOCYCLINE AND MAGNESIUM | Descriptor: | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Hinrichs, W, Palm, G.J, Berndt, L, Girbardt, B. | Deposit date: | 2019-04-11 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Thermodynamics, cooperativity and stability of the tetracycline repressor (TetR) upon tetracycline binding. Biochim Biophys Acta Proteins Proteom, 1868, 2020
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4CHI
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![BU of 4chi by Molmil](/molmil-images/mine/4chi) | (R)-selective amine transaminase from Aspergillus fumigatus at 1.27 A resolution | Descriptor: | BRANCHED-CHAIN AMINO ACID AMINOTRANSFERASE, CHLORIDE ION, GLYCEROL, ... | Authors: | Thomsen, M, Palm, G.J, Hinrichs, W. | Deposit date: | 2013-12-02 | Release date: | 2014-04-30 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Crystallographic Characterization of the (R)-Selective Amine Transaminase from Aspergillus Fumigatus. Acta Crystallogr.,Sect.D, 70, 2014
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4CUO
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![BU of 4cuo by Molmil](/molmil-images/mine/4cuo) | Banyan peroxidase with glycosylation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BANYAN PEROXIDASE, CALCIUM ION, ... | Authors: | Palm, G.J, Sharma, A, Hinrichs, W. | Deposit date: | 2014-03-20 | Release date: | 2014-07-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Post-Translational Modification and Extended Glycosylation Pattern of a Plant Latex Peroxidase of Native Source Characterized by X-Ray Crystallography. FEBS J., 281, 2014
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1LVO
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![BU of 1lvo by Molmil](/molmil-images/mine/1lvo) | Structure of coronavirus main proteinase reveals combination of a chymotrypsin fold with an extra alpha-helical domain | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIETHYLENE DIOXIDE, Replicase, ... | Authors: | Anand, K, Palm, G.J, Mesters, J.R, Siddell, S.G, Ziebuhr, J, Hilgenfeld, R. | Deposit date: | 2002-05-29 | Release date: | 2002-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure of coronavirus main proteinase reveals combination of a chymotrypsin fold with an extra alpha-helical domain. EMBO J., 21, 2002
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1MNH
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![BU of 1mnh by Molmil](/molmil-images/mine/1mnh) | INTERACTIONS AMONG RESIDUES CD3, E7, E10 AND E11 IN MYOGLOBINS: ATTEMPTS TO SIMULATE THE O2 AND CO BINDING PROPERTIES OF APLYSIA MYOGLOBIN | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Davies, G.J, Wilkinson, A.J. | Deposit date: | 1995-01-11 | Release date: | 1995-05-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Interactions among residues CD3, E7, E10, and E11 in myoglobins: attempts to simulate the ligand-binding properties of Aplysia myoglobin. Biochemistry, 34, 1995
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1M66
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![BU of 1m66 by Molmil](/molmil-images/mine/1m66) | Crystal Structure of Leishmania mexicana GPDH Complexed with Inhibitor 2-bromo-6-chloro-purine | Descriptor: | 2-BROMO-6-CHLORO-PURINE, Glycerol-3-phosphate dehydrogenase, PALMITIC ACID | Authors: | Choe, J, Suresh, S, Wisedchaisri, G, Kennedy, K.J, Gelb, M.H, Hol, W.G.J. | Deposit date: | 2002-07-12 | Release date: | 2002-12-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Anomalous differences of light elements in determining precise binding modes of ligands to
glycerol-3-phosphate dehydrogenase Chem.Biol., 9, 2002
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1MAF
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1M67
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![BU of 1m67 by Molmil](/molmil-images/mine/1m67) | Crystal Structure of Leishmania mexicana GPDH Complexed with Inhibitor 2-bromo-6-hydroxy-purine | Descriptor: | 2-BROMO-6-HYDROXY-PURINE, Glycerol-3-phosphate dehydrogenase, PALMITIC ACID | Authors: | Choe, J, Suresh, S, Wisedchaisri, G, Kennedy, K.J, Gelb, M.H, Hol, W.G.J. | Deposit date: | 2002-07-12 | Release date: | 2002-12-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Anomalous differences of light elements in determining precise binding modes of ligands to
glycerol-3-phosphate dehydrogenase Chem.Biol., 9, 2002
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1MD7
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![BU of 1md7 by Molmil](/molmil-images/mine/1md7) | Monomeric structure of the zymogen of complement protease C1r | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C1R COMPLEMENT SERINE PROTEASE | Authors: | Budayova-Spano, M, Grabarse, W, Thielens, N.M, Hillen, H, Lacroix, M, Schmidt, M, Fontecilla-Camps, J, Arlaud, G.J, Gaboriaud, C. | Deposit date: | 2002-08-07 | Release date: | 2003-08-07 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Monomeric structures of the zymogen and active catalytic domain of complement protease c1r: further insights into the c1 activation mechanism Structure, 10, 2002
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2CBU
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![BU of 2cbu by Molmil](/molmil-images/mine/2cbu) | Beta-glucosidase from Thermotoga maritima in complex with castanospermine | Descriptor: | ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ... | Authors: | Gloster, T.M, Davies, G.J, Madsen, R. | Deposit date: | 2006-01-09 | Release date: | 2006-02-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Dissection of Conformationally Restricted Inhibitors Binding to a Beta-Glucosidase. Chembiochem, 7, 2006
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2CBV
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2CET
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![BU of 2cet by Molmil](/molmil-images/mine/2cet) | Beta-glucosidase from Thermotoga maritima in complex with phenethyl- substituted glucoimidazole | Descriptor: | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ACETATE ION, BETA-GLUCOSIDASE A, ... | Authors: | Gloster, T.M, Roberts, S, Vasella, A, Davies, G.J. | Deposit date: | 2006-02-10 | Release date: | 2006-09-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural, Kinetic, and Thermodynamic Analysis of Glucoimidazole-Derived Glycosidase Inhibitors. Biochemistry, 45, 2006
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2DCG
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![BU of 2dcg by Molmil](/molmil-images/mine/2dcg) | MOLECULAR STRUCTURE OF A LEFT-HANDED DOUBLE HELICAL DNA FRAGMENT AT ATOMIC RESOLUTION | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION, SPERMINE | Authors: | Wang, A.H.-J, Quigley, G.J, Kolpak, F.J, Crawford, J.L, Van Boom, J.H, Van Der Marel, G.A, Rich, A. | Deposit date: | 1988-08-29 | Release date: | 1989-01-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Molecular structure of a left-handed double helical DNA fragment at atomic resolution. Nature, 282, 1979
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1OIF
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![BU of 1oif by Molmil](/molmil-images/mine/1oif) | Family 1 b-glucosidase from Thermotoga maritima | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, BETA-GLUCOSIDASE | Authors: | Gloster, T, Zechel, D, Boraston, A.B, Boraston, C.M, Macdonald, J.M, Tilbrook, D.M, Stick, R.V, Davies, G.J. | Deposit date: | 2003-06-16 | Release date: | 2003-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Iminosugar Glycosidase Inhibitors: Structural and Thermodynamic Dissection of the Binding of Isofagomine and 1-Deoxynojirimycin to Beta-Glucosidases J.Am.Chem.Soc., 125, 2003
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1OIM
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![BU of 1oim by Molmil](/molmil-images/mine/1oim) | Family 1 b-glucosidase from Thermotoga maritima | Descriptor: | 1-DEOXYNOJIRIMYCIN, BETA-GLUCOSIDASE A | Authors: | Gloster, T, Zechel, D.L, Boraston, A.B, Boraston, C.M, Macdonald, J.M, Tilbrook, D.M, Stick, R.V, Davies, G.J. | Deposit date: | 2003-06-19 | Release date: | 2003-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Iminosugar Glycosidase Inhibitors: Structural and Thermodynamic Dissection of the Binding of Isofagomine and 1-Deoxynojirimycin to Beta-Glucosidases J.Am.Chem.Soc., 125, 2003
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2J47
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![BU of 2j47 by Molmil](/molmil-images/mine/2j47) | Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with a imidazole-pugnac hybrid inhibitor | Descriptor: | (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE, GLUCOSAMINIDASE, GLYCEROL | Authors: | Dennis, R.J, Davies, G.J. | Deposit date: | 2006-08-25 | Release date: | 2006-10-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Inhibition of O-Glcnacase by a Gluco-Configured Nagstatin and a Pugnac-Imidazole Hybrid Inhibitor Chem. Commun., 42, 2006
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6P7M
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![BU of 6p7m by Molmil](/molmil-images/mine/6p7m) | Cryo-EM structure of LbCas12a-crRNA: AcrVA4 (1:2 complex) | Descriptor: | Cas12a, MAGNESIUM ION, anti-CRISPR VA4, ... | Authors: | Knott, G.J, Liu, J.J, Doudna, J.A. | Deposit date: | 2019-06-06 | Release date: | 2019-08-21 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for AcrVA4 inhibition of specific CRISPR-Cas12a. Elife, 8, 2019
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2J4G
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![BU of 2j4g by Molmil](/molmil-images/mine/2j4g) | Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with n-butyl- thiazoline inhibitor | Descriptor: | (3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, ACETATE ION, GLYCEROL, ... | Authors: | Dennis, R.J, Davies, G.J. | Deposit date: | 2006-08-31 | Release date: | 2007-01-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Analysis of Pugnac and Nag-Thiazoline as Transition State Analogues for Human O-Glcnacase: Mechanistic and Structural Insights Into Inhibitor Selectivity and Transition State Poise. J.Am.Chem.Soc., 129, 2007
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6P7N
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![BU of 6p7n by Molmil](/molmil-images/mine/6p7n) | Cryo-EM structure of LbCas12a-crRNA: AcrVA4 (2:2 complex) | Descriptor: | Cas12a, MAGNESIUM ION, anti-CRISPR VA4, ... | Authors: | Knott, G.J, Liu, J.J, Doudna, J.A. | Deposit date: | 2019-06-06 | Release date: | 2019-08-21 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Structural basis for AcrVA4 inhibition of specific CRISPR-Cas12a. Elife, 8, 2019
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1O7O
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![BU of 1o7o by Molmil](/molmil-images/mine/1o7o) | Roles of Individual Residues of Alpha-1,3 Galactosyltransferases in Substrate Binding and Catalysis | Descriptor: | MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE, ... | Authors: | Zhang, Y, Swaminathan, G.J, Deshpande, A, Natesh, R, Xie, Z, Acharya, K.R, Brew, K. | Deposit date: | 2002-11-11 | Release date: | 2003-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Roles of individual enzyme-substrate interactions by alpha-1,3-galactosyltransferase in catalysis and specificity. Biochemistry, 42, 2003
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5MRU
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![BU of 5mru by Molmil](/molmil-images/mine/5mru) | |
1O7Q
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![BU of 1o7q by Molmil](/molmil-images/mine/1o7q) | Roles of Individual Residues of Alpha-1,3 Galactosyltransferases in Substrate Binding and Catalysis | Descriptor: | GLYCEROL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ... | Authors: | Zhang, Y, Swaminathan, G.J, Deshpande, A, Natesh, R, Xie, Z, Acharya, K.R, Brew, K. | Deposit date: | 2002-11-12 | Release date: | 2003-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Roles of Individual Enzyme-Substrate Interactions by Alpha-1,3-Galactosyltransferase in Catalysis and Specificity. Biochemistry, 42, 2003
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2A39
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![BU of 2a39 by Molmil](/molmil-images/mine/2a39) | HUMICOLA INSOLENS ENDOCELLULASE EGI NATIVE STRUCTURE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOGLUCANASE I | Authors: | Davies, G.J, Sulzenbacher, G, Mackenzie, L, Withers, S.G, Divne, C, Jones, T.A, Woldike, H.F, Schulein, M. | Deposit date: | 1998-01-30 | Release date: | 1999-02-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the family 7 endoglucanase I (Cel7B) from Humicola insolens at 2.2 A resolution and identification of the catalytic nucleophile by trapping of the covalent glycosyl-enzyme intermediate. Biochem.J., 335, 1998
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2AK2
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![BU of 2ak2 by Molmil](/molmil-images/mine/2ak2) | ADENYLATE KINASE ISOENZYME-2 | Descriptor: | ADENYLATE KINASE ISOENZYME-2, SULFATE ION | Authors: | Schlauderer, G.J, Schulz, G.E. | Deposit date: | 1995-12-29 | Release date: | 1996-06-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure of bovine mitochondrial adenylate kinase: comparison with isoenzymes in other compartments. Protein Sci., 5, 1996
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2CES
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![BU of 2ces by Molmil](/molmil-images/mine/2ces) | Beta-glucosidase from Thermotoga maritima in complex with glucoimidazole | Descriptor: | ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ... | Authors: | Gloster, T.M, Roberts, S, Vasella, A, Davies, G.J. | Deposit date: | 2006-02-10 | Release date: | 2006-09-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural, Kinetic, and Thermodynamic Analysis of Glucoimidazole-Derived Glycosidase Inhibitors. Biochemistry, 45, 2006
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