6J5X
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![BU of 6j5x by Molmil](/molmil-images/mine/6j5x) | Crystal structure of fumarylpyruvate hydrolase from Corynebacterium glutamicum in complex with Mn2+ and pyruvate | Descriptor: | MANGANESE (II) ION, PYRUVIC ACID, Predicted 2-keto-4-pentenoate hydratase/2-oxohepta-3-ene-1,7-dioic acid hydratase, ... | Authors: | Hong, H, Seo, H, Kim, K.-J, Park, W. | Deposit date: | 2019-01-12 | Release date: | 2019-12-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Sequence, structure and function-based classification of the broadly conserved FAH superfamily reveals two distinct fumarylpyruvate hydrolase subfamilies. Environ.Microbiol., 22, 2020
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8BM3
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![BU of 8bm3 by Molmil](/molmil-images/mine/8bm3) | H207A mutant of E. coli PgpB, a PAP2 type phosphatidyl glycerol phosphate and C55-PP phosphatase, in complex with farnesyl pyrophosphate | Descriptor: | FARNESYL DIPHOSPHATE, Phosphatidylglycerophosphatase B | Authors: | Delbrassine, F, El Ghachi, M, Lambion, A, Herman, R, Kerff, F. | Deposit date: | 2022-11-10 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | H207A mutant of E. coli PgpB, a PAP2 type phosphatidyl glycerol phosphate and C55-PP phosphatase, in complex with farnesyl pyrophosphate To Be Published
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6A4S
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![BU of 6a4s by Molmil](/molmil-images/mine/6a4s) | Crystal structure of peptidase E with ordered active site loop from Salmonella enterica | Descriptor: | Peptidase E | Authors: | Yadav, P, Chandravanshi, K, Goyal, V.D, Singh, R, Kumar, A, Gokhale, S.M, Makde, R.D. | Deposit date: | 2018-06-20 | Release date: | 2018-10-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Asp-bound peptidase E from Salmonella enterica: Active site at dimer interface illuminates Asp recognition. FEBS Lett., 592, 2018
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6BKW
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![BU of 6bkw by Molmil](/molmil-images/mine/6bkw) | BTK complex with compound 12 | Descriptor: | GLYCEROL, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, ... | Authors: | Kiefer, J.R, Eigenbrot, C, Yu, C.L. | Deposit date: | 2017-11-09 | Release date: | 2018-11-07 | Last modified: | 2019-03-27 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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6BQA
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![BU of 6bqa by Molmil](/molmil-images/mine/6bqa) | BRD9 bromodomain in complex with 3-(6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide | Descriptor: | 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide, Bromodomain-containing protein 9 | Authors: | Murray, J.M, Tang, Y. | Deposit date: | 2017-11-27 | Release date: | 2018-11-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.031 Å) | Cite: | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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6BKE
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![BU of 6bke by Molmil](/molmil-images/mine/6bke) | BTK complex with compound 10 | Descriptor: | N-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | Authors: | Kiefer, J.R, Eigenbrot, C, Yu, C.L, Wang, G.X. | Deposit date: | 2017-11-08 | Release date: | 2018-11-07 | Last modified: | 2019-03-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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6BIK
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![BU of 6bik by Molmil](/molmil-images/mine/6bik) | BTK complex with compound 7 | Descriptor: | 4-tert-butyl-N-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide, GLYCEROL, SULFATE ION, ... | Authors: | Kiefer, J.R, Eigenbrot, C, Yu, C.L. | Deposit date: | 2017-11-02 | Release date: | 2018-11-07 | Last modified: | 2019-03-27 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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6BKH
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![BU of 6bkh by Molmil](/molmil-images/mine/6bkh) | BTK complex with compound 11 | Descriptor: | N-[2-(hydroxymethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | Authors: | Kiefer, J.R, Eigenbrot, C, Yu, C.L. | Deposit date: | 2017-11-08 | Release date: | 2018-11-07 | Last modified: | 2019-03-27 | Method: | X-RAY DIFFRACTION (1.792 Å) | Cite: | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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6J57
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![BU of 6j57 by Molmil](/molmil-images/mine/6j57) | Crystal structure of fumarylpyruvate hydrolase from Corynebacterium glutamicum | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Predicted 2-keto-4-pentenoate hydratase/2-oxohepta-3-ene-1,7-dioic acid hydratase, ... | Authors: | Hong, H, Seo, H, Kim, K.-J, Park, W. | Deposit date: | 2019-01-10 | Release date: | 2019-12-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Sequence, structure and function-based classification of the broadly conserved FAH superfamily reveals two distinct fumarylpyruvate hydrolase subfamilies. Environ.Microbiol., 22, 2020
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5JPH
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![BU of 5jph by Molmil](/molmil-images/mine/5jph) | Structure of a GNAT acetyltransferase SACOL1063 from Staphylococcus aureus in complex with CoA | Descriptor: | Acetyltransferase SACOL1063, CHLORIDE ION, COENZYME A | Authors: | Majorek, K.A, Osinski, T, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-05-03 | Release date: | 2016-06-29 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Insight into the 3D structure and substrate specificity of previously uncharacterized GNAT superfamily acetyltransferases from pathogenic bacteria. Biochim.Biophys.Acta, 1865, 2016
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7BJ1
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![BU of 7bj1 by Molmil](/molmil-images/mine/7bj1) | Crystal structure of SMYD3 with diperodon S enantiomer bound to allosteric site | Descriptor: | ACETATE ION, Diperodon (S-enantiomer), GLYCEROL, ... | Authors: | Talibov, V.O, Cederfelt, D, Dobritzsch, D, Danielson, U.H. | Deposit date: | 2021-01-13 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase Chembiochem, 22, 2021
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7PJJ
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![BU of 7pjj by Molmil](/molmil-images/mine/7pjj) | Structure of the Family-3 Glycosyl Hydrolase BcpE2 from Streptomyces scabies | Descriptor: | Beta-glucosidase, GLYCEROL | Authors: | Jadot, C, Herman, R, Deflandre, B, Rigali, S, Kerff, F. | Deposit date: | 2021-08-24 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.086 Å) | Cite: | Structure and Function of BcpE2, the Most Promiscuous GH3-Family Glucose Scavenging Beta-Glucosidase. Mbio, 13, 2022
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3CNH
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7QKN
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![BU of 7qkn by Molmil](/molmil-images/mine/7qkn) | Crystal structure of YTHDF1 YTH domain in complex with the ebsulfur derivative compound 7 | Descriptor: | 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1, ... | Authors: | Dalle Vedove, A, Cazzanelli, G, Quattrone, A, Provenzani, A, Lolli, G. | Deposit date: | 2021-12-18 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition of N 6 -Methyladenosine-Modified RNAs. Acs Pharmacol Transl Sci, 5, 2022
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7QL7
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![BU of 7ql7 by Molmil](/molmil-images/mine/7ql7) | Crystal structure of YTHDF1 YTH domain in complex with the ebsulfur derivative compound 9 | Descriptor: | 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1, ... | Authors: | Dalle Vedove, A, Cazzanelli, G, Quattrone, A, Provenzani, A, Lolli, G. | Deposit date: | 2021-12-19 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition of N 6 -Methyladenosine-Modified RNAs. Acs Pharmacol Transl Sci, 5, 2022
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5FGC
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![BU of 5fgc by Molmil](/molmil-images/mine/5fgc) | |
3HZ2
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![BU of 3hz2 by Molmil](/molmil-images/mine/3hz2) | |
3HZB
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![BU of 3hzb by Molmil](/molmil-images/mine/3hzb) | |
1N71
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![BU of 1n71 by Molmil](/molmil-images/mine/1n71) | Crystal structure of aminoglycoside 6'-acetyltransferase type Ii in complex with coenzyme A | Descriptor: | COENZYME A, SULFATE ION, aac(6')-Ii | Authors: | Burk, D.L, Ghuman, N, Wybenga-Groot, L.E, Berghuis, A.M. | Deposit date: | 2002-11-12 | Release date: | 2003-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray structure of the AAC(6')-Ii antibiotic resistance enzyme at 1.8 A resolution; examination of oligomeric arrangements in GNAT superfamily members Protein Sci., 12, 2003
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5FGB
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![BU of 5fgb by Molmil](/molmil-images/mine/5fgb) | Three dimensional structure of broadly neutralizing human anti - Hepatitis C virus (HCV) glycoprotein E2 Fab fragment HC33.4 | Descriptor: | Anti-HCV E2 Fab HC84-1 heavy chain, Anti-HCV E2 Fab HC84-1 light chain, GLYCEROL, ... | Authors: | Girard-Blanc, C, Rey, F.A, Krey, T. | Deposit date: | 2015-12-20 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Antibody Response to Hypervariable Region 1 Interferes with Broadly Neutralizing Antibodies to Hepatitis C Virus. J.Virol., 90, 2016
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4YSB
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![BU of 4ysb by Molmil](/molmil-images/mine/4ysb) | Crystal structure of ETHE1 from Myxococcus xanthus | Descriptor: | FE (III) ION, Metallo-beta-lactamase family protein | Authors: | Sattler, S.A, Wang, X, DeHan, P.J, Xun, L, Kang, C. | Deposit date: | 2015-03-17 | Release date: | 2015-06-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5015 Å) | Cite: | Characterizations of Two Bacterial Persulfide Dioxygenases of the Metallo-beta-lactamase Superfamily. J.Biol.Chem., 290, 2015
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4YSK
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![BU of 4ysk by Molmil](/molmil-images/mine/4ysk) | Crystal structure of apo-form SdoA from Pseudomonas putida | Descriptor: | Beta-lactamase domain protein, FE (III) ION | Authors: | Sattler, S.A, Wang, X, DeHan, P.J, Xun, L, Kang, C. | Deposit date: | 2015-03-17 | Release date: | 2015-06-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.466 Å) | Cite: | Characterizations of Two Bacterial Persulfide Dioxygenases of the Metallo-beta-lactamase Superfamily. J.Biol.Chem., 290, 2015
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5E5T
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![BU of 5e5t by Molmil](/molmil-images/mine/5e5t) | Quasi-racemic snakin-1 in P1 after radiation damage | Descriptor: | 1,2-ETHANEDIOL, D- snakin-1, FORMIC ACID, ... | Authors: | Yeung, H, Squire, C.J, Yosaatmadja, Y, Panjikar, S, Baker, E.N, Harris, P.W.R, Brimble, M.A. | Deposit date: | 2015-10-09 | Release date: | 2016-05-18 | Last modified: | 2016-07-20 | Method: | X-RAY DIFFRACTION (1.572 Å) | Cite: | Radiation Damage and Racemic Protein Crystallography Reveal the Unique Structure of the GASA/Snakin Protein Superfamily. Angew.Chem.Int.Ed.Engl., 55, 2016
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5IWS
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![BU of 5iws by Molmil](/molmil-images/mine/5iws) | Crystal structure of the transporter MalT, the EIIC domain from the maltose-specific phosphotransferase system | Descriptor: | Protein-N(Pi)-phosphohistidine-sugar phosphotransferase (Enzyme II of the phosphotransferase system) (PTS system glucose-specific IIBC component), alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | McCoy, J.G, Ren, Z, Levin, E.J, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2016-03-22 | Release date: | 2016-05-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.551 Å) | Cite: | The Structure of a Sugar Transporter of the Glucose EIIC Superfamily Provides Insight into the Elevator Mechanism of Membrane Transport. Structure, 24, 2016
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3EG2
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![BU of 3eg2 by Molmil](/molmil-images/mine/3eg2) | Crystal structure of the N114Q mutant of ABL-SH3 domain | Descriptor: | GLYCEROL, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Camara-Artigas, A. | Deposit date: | 2008-09-10 | Release date: | 2009-09-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Role of interfacial water molecules in proline-rich ligand recognition by the Src homology 3 domain of Abl. J.Biol.Chem., 285, 2010
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