7MCT
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![BU of 7mct by Molmil](/molmil-images/mine/7mct) | Crystal structure of Staphylococcus aureus Cystathionine gamma lyase, Holoenzyme with bound NL1 | Descriptor: | Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, N-[(6-bromo-1H-indol-1-yl)acetyl]glycine, ... | Authors: | Nuthanakanti, A, Serganov, A, Kaushik, A. | Deposit date: | 2021-04-02 | Release date: | 2021-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MCU
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![BU of 7mcu by Molmil](/molmil-images/mine/7mcu) | Crystal structure of Staphylococcus aureus Cystathionine gamma lyase, Holoenzyme with bound NL2 | Descriptor: | 5-[(6-bromo-1H-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, CITRATE ANION, ... | Authors: | Nuthanakanti, A, Serganov, A, Kaushik, A. | Deposit date: | 2021-04-02 | Release date: | 2021-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MD8
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![BU of 7md8 by Molmil](/molmil-images/mine/7md8) | Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103N mutant co-crystallized with NL2 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, ... | Authors: | Nuthanakanti, A, Serganov, A, Kaushik, A. | Deposit date: | 2021-04-03 | Release date: | 2021-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MDA
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![BU of 7mda by Molmil](/molmil-images/mine/7mda) | Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103A mutant co-crystallized with NL1 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, N-[(6-bromo-1H-indol-1-yl)acetyl]glycine, ... | Authors: | Nuthanakanti, A, Serganov, A, Kaushik, A. | Deposit date: | 2021-04-03 | Release date: | 2021-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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1OMC
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![BU of 1omc by Molmil](/molmil-images/mine/1omc) | SOLUTION STRUCTURE OF OMEGA-CONOTOXIN GVIA USING 2-D NMR SPECTROSCOPY AND RELAXATION MATRIX ANALYSIS | Descriptor: | OMEGA-CONOTOXIN GVIA | Authors: | Davis, J.H, Bradley, E.K, Miljanich, G.P, Nadasdi, L, Ramachandran, J, Basus, V.J. | Deposit date: | 1993-04-28 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Solution structure of omega-conotoxin GVIA using 2-D NMR spectroscopy and relaxation matrix analysis. Biochemistry, 32, 1993
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3T5M
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![BU of 3t5m by Molmil](/molmil-images/mine/3t5m) | Crystal structure of the S112A mutant of mycrocine immunity protein (MccF) with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, Microcin immunity protein MccF | Authors: | Nocek, B, Zhou, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-07-27 | Release date: | 2011-09-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.749 Å) | Cite: | Structural and Functional Characterization of Microcin C Resistance Peptidase MccF from Bacillus anthracis. J.Mol.Biol., 420, 2012
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2GDZ
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![BU of 2gdz by Molmil](/molmil-images/mine/2gdz) | Crystal structure of 15-hydroxyprostaglandin dehydrogenase type1, complexed with NAD+ | Descriptor: | NAD+-dependent 15-hydroxyprostaglandin dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Pilka, E.S, Guo, K, Kavanagh, K, Von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2006-03-17 | Release date: | 2006-04-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | High-Affinity Inhibitors of Human NAD-Dependent 15-Hydroxyprostaglandin Dehydrogenase: Mechanisms of Inhibition and Structure-Activity Relationships. Plos One, 5, 2010
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7U1M
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![BU of 7u1m by Molmil](/molmil-images/mine/7u1m) | Crystal structure of NTMT1 in complex with compound YD206 | Descriptor: | (1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate, N-terminal Xaa-Pro-Lys N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Yadav, R, Noinaj, N. | Deposit date: | 2022-02-21 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | Venglustat Inhibits Protein N-Terminal Methyltransferase 1 in a Substrate-Competitive Manner. J.Med.Chem., 65, 2022
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3TLC
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![BU of 3tlc by Molmil](/molmil-images/mine/3tlc) | |
3TLY
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![BU of 3tly by Molmil](/molmil-images/mine/3tly) | |
3TLE
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![BU of 3tle by Molmil](/molmil-images/mine/3tle) | |
3TLB
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![BU of 3tlb by Molmil](/molmil-images/mine/3tlb) | |
3TLG
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![BU of 3tlg by Molmil](/molmil-images/mine/3tlg) | |
3TLA
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![BU of 3tla by Molmil](/molmil-images/mine/3tla) | |
3TLZ
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![BU of 3tlz by Molmil](/molmil-images/mine/3tlz) | |
3U1B
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![BU of 3u1b by Molmil](/molmil-images/mine/3u1b) | Crystal structure of the S238R mutant of mycrocine immunity protein (MccF) with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Microcin immunity protein MccF | Authors: | Nocek, B, Gu, M, Zhou, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-09-29 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.604 Å) | Cite: | Structural and Functional Characterization of Microcin C Resistance Peptidase MccF from Bacillus anthracis. J.Mol.Biol., 420, 2012
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3TYX
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![BU of 3tyx by Molmil](/molmil-images/mine/3tyx) | Crystal structure of the F177S mutant of mycrocine immunity protein (MccF) with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Microcin immunity protein MccF | Authors: | Nocek, B, Gu, M, Zhou, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-09-26 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural and Functional Characterization of Microcin C Resistance Peptidase MccF from Bacillus anthracis. J.Mol.Biol., 420, 2012
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2IU0
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![BU of 2iu0 by Molmil](/molmil-images/mine/2iu0) | crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | Descriptor: | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION | Authors: | Xu, L, Chong, Y, Hwang, I, Onofrio, A.D, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | Deposit date: | 2006-05-26 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structure-Based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase J.Biol.Chem., 282, 2007
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4CYE
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![BU of 4cye by Molmil](/molmil-images/mine/4cye) | Crystal structure of avian FAK FERM domain FAK31-405 at 3.2A | Descriptor: | FOCAL ADHESION KINASE 1 | Authors: | Goni, G.M, Epifano, C, Boskovic, J, Camacho-Artacho, M, Zhou, J, Martin, M.T, Eck, M.J, Kremer, L, Graeter, F, Gervasio, F.L, Perez-Moreno, M, Lietha, D. | Deposit date: | 2014-04-10 | Release date: | 2014-04-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Phosphatidylinositol 4,5-Bisphosphate Triggers Activation of Focal Adhesion Kinase by Inducing Clustering and Conformational Changes. Proc.Natl.Acad.Sci.USA, 111, 2014
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4CWB
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![BU of 4cwb by Molmil](/molmil-images/mine/4cwb) | Staphylococcus aureus 7,8-Dihydro-6-hydroxymethylpterin- pyrophosphokinase in complex with AMPCPP and an inhibitor | Descriptor: | 2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,9-dihydropurin-6-one, 7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Dennis, M.L, Swarbrick, J.D, Peat, T.S. | Deposit date: | 2014-04-02 | Release date: | 2015-01-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structure-Based Design and Development of Functionalized Mercaptoguanine Derivatives as Inhibitors of the Folate Biosynthesis Pathway Enzyme 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase from Staphylococcus Aureus. J.Med.Chem., 57, 2014
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4CYU
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![BU of 4cyu by Molmil](/molmil-images/mine/4cyu) | Staphylococcus aureus 7,8-Dihydro-6-hydroxymethylpterin- pyrophosphokinase in complex with AMPCPP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Dennis, M.L, Swarbrick, J.D, Peat, T.S. | Deposit date: | 2014-04-15 | Release date: | 2015-01-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-Based Design and Development of Functionalized Mercaptoguanine Derivatives as Inhibitors of the Folate Biosynthesis Pathway Enzyme 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase from Staphylococcus Aureus. J.Med.Chem., 57, 2014
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4E5D
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![BU of 4e5d by Molmil](/molmil-images/mine/4e5d) | 2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex | Descriptor: | 2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole, Luciferin 4-monooxygenase | Authors: | Lovell, S, Battaile, K.P, Throne, N, Shen, M, Auld, D.S, Inglese, J. | Deposit date: | 2012-03-14 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Firefly luciferase in chemical biology: a compendium of inhibitors, mechanistic evaluation of chemotypes, and suggested use as a reporter. Chem.Biol., 19, 2012
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4CRJ
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![BU of 4crj by Molmil](/molmil-images/mine/4crj) | Staphylococcus aureus 7,8-Dihydro-6-hydroxymethylpterin- pyrophosphokinase in complex with AMPCPP and an inhibitor | Descriptor: | 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one, 7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE (HPPK), DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Dennis, M.L, Swarbrick, J.D, Peat, T.S. | Deposit date: | 2014-02-27 | Release date: | 2015-01-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design and Development of Functionalized Mercaptoguanine Derivatives as Inhibitors of the Folate Biosynthesis Pathway Enzyme 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase from Staphylococcus Aureus. J.Med.Chem., 57, 2014
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6CH3
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2PU2
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![BU of 2pu2 by Molmil](/molmil-images/mine/2pu2) | AmpC beta-lactamase with bound Phthalamide inhibitor | Descriptor: | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION | Authors: | Babaoglu, K, Shoichet, B.K. | Deposit date: | 2007-05-08 | Release date: | 2008-04-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase. J.Med.Chem., 51, 2008
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