1QIQ
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![BU of 1qiq by Molmil](/molmil-images/mine/1qiq) | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACmC Fe COMPLEX) | Descriptor: | FE (III) ION, ISOPENICILLIN N SYNTHASE, N-[N-[2-AMINO-6-OXO-HEXANOIC ACID-6-YL]CYSTEINYL]-S-METHYLCYSTEINE, ... | Authors: | Rutledge, P.J, Clifton, I.J, Burzlaff, N.I, Roach, P.L, Adlington, R.M, Baldwin, J.E. | Deposit date: | 1999-06-15 | Release date: | 2000-06-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction. Nature, 401, 1999
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4V5W
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![BU of 4v5w by Molmil](/molmil-images/mine/4v5w) | Grapevine Fanleaf virus | Descriptor: | COAT PROTEIN | Authors: | Schellenberger, P, Demangeat, G, Ritzenthaler, C, Lorber, B, Sauter, C. | Deposit date: | 2011-05-10 | Release date: | 2014-07-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Exploiting Protein Engineering and Crystal Polymorphism for Successful X-Ray Structure Determination Cryst.Growth Des., 11, 2011
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2AYA
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![BU of 2aya by Molmil](/molmil-images/mine/2aya) | |
4DVE
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![BU of 4dve by Molmil](/molmil-images/mine/4dve) | Crystal structure at 2.1 A of the S-component for biotin from an ECF-type ABC transporter | Descriptor: | BIOTIN, Biotin transporter BioY, nonyl beta-D-glucopyranoside | Authors: | Berntsson, R.P.-A, ter Beek, J, Majsnerowska, M, Duurkens, R, Puri, P, Poolman, B, Slotboom, D.J. | Deposit date: | 2012-02-23 | Release date: | 2012-08-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural divergence of paralogous S components from ECF-type ABC transporters. Proc.Natl.Acad.Sci.USA, 109, 2012
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3LFI
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![BU of 3lfi by Molmil](/molmil-images/mine/3lfi) | |
5X40
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![BU of 5x40 by Molmil](/molmil-images/mine/5x40) | Structure of a CbiO dimer bound with AMPPCP | Descriptor: | Cobalt ABC transporter ATP-binding protein, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Bao, Z, Qi, X, Wang, J, Zhang, P. | Deposit date: | 2017-02-09 | Release date: | 2017-04-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure and mechanism of a group-I cobalt energy coupling factor transporter Cell Res., 27, 2017
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4B9E
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![BU of 4b9e by Molmil](/molmil-images/mine/4b9e) | Structure of a putative epoxide hydrolase from Pseudomonas aeruginosa, with bound MFA. | Descriptor: | GLYCEROL, PROBABLE EPOXIDE HYDROLASE, SULFATE ION, ... | Authors: | Schmidberger, J.W, Schnell, R, Schneider, G. | Deposit date: | 2012-09-04 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery. Acta Crystallogr.,Sect.F, 69, 2013
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4B9A
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![BU of 4b9a by Molmil](/molmil-images/mine/4b9a) | Structure of a putative epoxide hydrolase from Pseudomonas aeruginosa. | Descriptor: | GLYCEROL, PROBABLE EPOXIDE HYDROLASE, SULFATE ION | Authors: | Schmidberger, J.W, Schnell, R, Schneider, G. | Deposit date: | 2012-09-03 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery. Acta Crystallogr.,Sect.F, 69, 2013
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3LYE
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![BU of 3lye by Molmil](/molmil-images/mine/3lye) | Crystal structure of oxaloacetate acetylhydrolase | Descriptor: | CALCIUM ION, Oxaloacetate acetyl hydrolase | Authors: | Herzberg, O, Chen, C. | Deposit date: | 2010-02-26 | Release date: | 2010-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of oxalacetate acetylhydrolase, a virulence factor of the chestnut blight fungus. J.Biol.Chem., 285, 2010
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3M0K
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![BU of 3m0k by Molmil](/molmil-images/mine/3m0k) | |
3M0J
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![BU of 3m0j by Molmil](/molmil-images/mine/3m0j) | Structure of oxaloacetate acetylhydrolase in complex with the inhibitor 3,3-difluorooxalacetate | Descriptor: | 2,2-difluoro-3,3-dihydroxybutanedioic acid, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Herzberg, O, Chen, C. | Deposit date: | 2010-03-03 | Release date: | 2010-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure of oxalacetate acetylhydrolase, a virulence factor of the chestnut blight fungus. J.Biol.Chem., 285, 2010
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6N65
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![BU of 6n65 by Molmil](/molmil-images/mine/6n65) | KRAS G-quadruplex G16T mutant. | Descriptor: | KRAS G-quadruplex G16T mutant, POTASSIUM ION | Authors: | Schmidberger, J.W, Ou, A, Smith, N.M, Iyer, K.S, Bond, C.S. | Deposit date: | 2018-11-25 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High resolution crystal structure of a KRAS promoter G-quadruplex reveals a dimer with extensive poly-A pi-stacking interactions for small-molecule recognition. Nucleic Acids Res., 48, 2020
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6NK1
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![BU of 6nk1 by Molmil](/molmil-images/mine/6nk1) | |
2L52
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![BU of 2l52 by Molmil](/molmil-images/mine/2l52) | Solution structure of the small archaeal modifier protein 1 (SAMP1) from Methanosarcina acetivorans | Descriptor: | METHANOSARCINA ACETIVORANS SAMP1 HOMOLOG | Authors: | Damberger, F.F, Ranjan, N, Sutter, M, Allain, F.H.-T, Weber-Ban, E. | Deposit date: | 2010-10-24 | Release date: | 2011-02-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure and activation mechanism of ubiquitin-like small archaeal modifier proteins. J.Mol.Biol., 405, 2011
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2APJ
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![BU of 2apj by Molmil](/molmil-images/mine/2apj) | X-Ray Structure of Protein from Arabidopsis Thaliana AT4G34215 at 1.6 Angstrom Resolution | Descriptor: | Putative Esterase | Authors: | Wesenberg, G.E, Phillips Jr, G.N, Mccoy, J.G, Bitto, E, Bingman, C.A, Allard, S.T, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2005-08-16 | Release date: | 2005-08-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structure at 1.6 Angstroms resolution of the protein product of the At4g34215 gene from Arabidopsis thaliana. Acta Crystallogr.,Sect.D, 61, 2005
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2KK7
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4U8L
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![BU of 4u8l by Molmil](/molmil-images/mine/4u8l) | Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant N207A | Descriptor: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | Authors: | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | Deposit date: | 2014-08-03 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics. Biochemistry, 53, 2014
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4U8K
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![BU of 4u8k by Molmil](/molmil-images/mine/4u8k) | Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Q107A | Descriptor: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | Authors: | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | Deposit date: | 2014-08-03 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics. Biochemistry, 53, 2014
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4U8M
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![BU of 4u8m by Molmil](/molmil-images/mine/4u8m) | Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Y317A | Descriptor: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | Authors: | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | Deposit date: | 2014-08-03 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics. Biochemistry, 53, 2014
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4U8J
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![BU of 4u8j by Molmil](/molmil-images/mine/4u8j) | Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Y104A | Descriptor: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | Authors: | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | Deposit date: | 2014-08-03 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics. Biochemistry, 53, 2014
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6QU7
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![BU of 6qu7 by Molmil](/molmil-images/mine/6qu7) | Crystal structure of human DHODH in complex with BAY 2402234 | Descriptor: | ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Friberg, A, Gradl, S. | Deposit date: | 2019-02-26 | Release date: | 2019-06-05 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | The novel dihydroorotate dehydrogenase (DHODH) inhibitor BAY 2402234 triggers differentiation and is effective in the treatment of myeloid malignancies. Leukemia, 33, 2019
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4WEJ
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![BU of 4wej by Molmil](/molmil-images/mine/4wej) | Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam | Descriptor: | (3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3 | Authors: | Ferguson, A.D. | Deposit date: | 2014-09-10 | Release date: | 2015-04-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.045 Å) | Cite: | SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3. Acs Med.Chem.Lett., 6, 2015
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6DUQ
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![BU of 6duq by Molmil](/molmil-images/mine/6duq) | Structure of a Rho-NusG KOW domain complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | Authors: | Berger, J.M, Lawson, M.R. | Deposit date: | 2018-06-21 | Release date: | 2018-09-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Mechanism for the Regulated Control of Bacterial Transcription Termination by a Universal Adaptor Protein. Mol. Cell, 71, 2018
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6DI3
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![BU of 6di3 by Molmil](/molmil-images/mine/6di3) | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND | Descriptor: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, Tyrosine-protein kinase BTK | Authors: | GARDBERG, A. | Deposit date: | 2018-05-22 | Release date: | 2018-09-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Bioorg. Med. Chem. Lett., 28, 2018
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6DI9
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![BU of 6di9 by Molmil](/molmil-images/mine/6di9) | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR | Descriptor: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | GARDBERG, A. | Deposit date: | 2018-05-23 | Release date: | 2018-09-05 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Bioorg. Med. Chem. Lett., 28, 2018
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