3N9J
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6HWO
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![BU of 6hwo by Molmil](/molmil-images/mine/6hwo) | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1335 | Descriptor: | 1,2-ETHANEDIOL, 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-10-12 | Release date: | 2019-07-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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7O1I
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![BU of 7o1i by Molmil](/molmil-images/mine/7o1i) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme alpha-E141A mutant | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, COENZYME A, GLYCEROL, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2021-03-29 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme. J.Struct.Biol., 213, 2021
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7O1G
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![BU of 7o1g by Molmil](/molmil-images/mine/7o1g) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme alpha-E141A-H462A, beta-C92A mutant | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, Putative acyltransferase Rv0859, SULFATE ION | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2021-03-29 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme. J.Struct.Biol., 213, 2021
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7O1K
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![BU of 7o1k by Molmil](/molmil-images/mine/7o1k) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme alpha-E141A, beta-C92A mutant | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2021-03-29 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme. J.Struct.Biol., 213, 2021
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7O4V
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![BU of 7o4v by Molmil](/molmil-images/mine/7o4v) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with oxidized nicotinamide adenine dinucleotide | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative acyltransferase Rv0859, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2021-04-07 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme. J.Struct.Biol., 213, 2021
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7O1L
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![BU of 7o1l by Molmil](/molmil-images/mine/7o1l) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme alpha-H462A mutant | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, COENZYME A, GLYCEROL, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2021-03-29 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme. J.Struct.Biol., 213, 2021
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7O4U
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7O1J
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![BU of 7o1j by Molmil](/molmil-images/mine/7o1j) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme beta-C92A mutant | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2021-03-29 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme. J.Struct.Biol., 213, 2021
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7O4R
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![BU of 7o4r by Molmil](/molmil-images/mine/7o4r) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme with Coenzyme A bound at the thiolase active sites and additional binding site (CoA(HAD/KAT)) | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, COENZYME A, GLYCEROL, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2021-04-07 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme. J.Struct.Biol., 213, 2021
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7O4Q
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![BU of 7o4q by Molmil](/molmil-images/mine/7o4q) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in space group C2221 (unliganded) | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2021-04-07 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme. J.Struct.Biol., 213, 2021
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3MXR
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![BU of 3mxr by Molmil](/molmil-images/mine/3mxr) | SHV-1 beta-lactamase complex with compound 1 | Descriptor: | ({[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-4-(4-hydroxyphenyl)butanoyl]amino}methyl)boronic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | Authors: | Ke, W, van den Akker, F. | Deposit date: | 2010-05-07 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Novel Insights into the Mode of Inhibition of Class A SHV-1 {beta}-Lactamases Revealed by Boronic Acid Transition State Inhibitors. Antimicrob.Agents Chemother., 55, 2011
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7O4T
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![BU of 7o4t by Molmil](/molmil-images/mine/7o4t) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme with Coenzyme A bound at the hydratase, thiolase active sites and possible additional binding site (CoA(ECH/HAD)) | Descriptor: | 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, 3-hydroxyacyl-CoA dehydrogenase, COENZYME A, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2021-04-07 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme. J.Struct.Biol., 213, 2021
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4IGF
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![BU of 4igf by Molmil](/molmil-images/mine/4igf) | Crystal structure of Plasmodium falciparum FabI complexed with NAD and inhibitor 3-(4-Chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one | Descriptor: | 3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one, Enoyl-acyl carrier reductase, GLYCEROL, ... | Authors: | Kostrewa, D, Perozzo, R. | Deposit date: | 2012-12-17 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design, Synthesis, and Biological and Crystallographic Evaluation of Novel Inhibitors of Plasmodium falciparum Enoyl-ACP-reductase (PfFabI) J.Med.Chem., 56, 2013
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7O1M
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![BU of 7o1m by Molmil](/molmil-images/mine/7o1m) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme alpha-H462A, beta-C92A mutant | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2021-03-29 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme. J.Struct.Biol., 213, 2021
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7O4S
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![BU of 7o4s by Molmil](/molmil-images/mine/7o4s) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme with Coenzyme A bound at the hydratase, thiolase active sites and additional binding site (CoA(ECH2)) | Descriptor: | 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, 3-hydroxyacyl-CoA dehydrogenase, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2021-04-07 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme. J.Struct.Biol., 213, 2021
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7P0V
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![BU of 7p0v by Molmil](/molmil-images/mine/7p0v) | Crystal structure of human SF3A1 ubiquitin-like domain in complex with U1 snRNA stem-loop 4 | Descriptor: | Isoform 2 of Splicing factor 3A subunit 1, PENTAETHYLENE GLYCOL, RNA (5'-R(P*GP*GP*GP*GP*AP*CP*UP*GP*CP*GP*UP*UP*CP*GP*CP*GP*CP*UP*UP*UP*CP*CP*CP*C)-3'), ... | Authors: | Sabath, K, de Vries, T, Jonas, S. | Deposit date: | 2021-06-30 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Sequence-specific RNA recognition by an RGG motif connects U1 and U2 snRNP for spliceosome assembly. Proc.Natl.Acad.Sci.USA, 119, 2022
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3K5S
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3MXS
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![BU of 3mxs by Molmil](/molmil-images/mine/3mxs) | SHV-1 beta-lactamase complex with compound 2 | Descriptor: | Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, N-[(dihydroxyboranyl)methyl]-Nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-tyrosinamide | Authors: | Ke, W, van den Akker, F. | Deposit date: | 2010-05-07 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Novel Insights into the Mode of Inhibition of Class A SHV-1 {beta}-Lactamases Revealed by Boronic Acid Transition State Inhibitors. Antimicrob.Agents Chemother., 55, 2011
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7OOJ
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![BU of 7ooj by Molmil](/molmil-images/mine/7ooj) | Structure of D-Thr53 Ubiquitin | Descriptor: | CADMIUM ION, Ubiquitin | Authors: | Becker, S. | Deposit date: | 2021-05-27 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A litmus test for classifying recognition mechanisms of transiently binding proteins. Nat Commun, 13, 2022
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3JXW
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6HWM
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![BU of 6hwm by Molmil](/molmil-images/mine/6hwm) | Structure of Thermus thermophilus ClpP in complex with bortezomib | Descriptor: | ATP-dependent Clp protease proteolytic subunit, DI(HYDROXYETHYL)ETHER, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE | Authors: | Felix, J, Schanda, P, Fraga, H, Morlot, C. | Deposit date: | 2018-10-12 | Release date: | 2019-09-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mechanism of the allosteric activation of the ClpP protease machinery by substrates and active-site inhibitors. Sci Adv, 5, 2019
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4GE4
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![BU of 4ge4 by Molmil](/molmil-images/mine/4ge4) | Kynurenine Aminotransferase II Inhibitors | Descriptor: | (5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | Authors: | Pandit, J. | Deposit date: | 2012-08-01 | Release date: | 2012-11-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions. ACS Med Chem Lett, 4, 2013
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4GHK
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2V89
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![BU of 2v89 by Molmil](/molmil-images/mine/2v89) | |