6QOR
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![BU of 6qor by Molmil](/molmil-images/mine/6qor) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 21 (2-Amino-3-nitrophenol) | Descriptor: | 2-azanyl-3-nitro-phenol, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.671 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6QOI
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![BU of 6qoi by Molmil](/molmil-images/mine/6qoi) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 12 (2-Aminobenzothiazole) | Descriptor: | 1,3-benzothiazol-2-amine, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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4JDR
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![BU of 4jdr by Molmil](/molmil-images/mine/4jdr) | Dihydrolipoamide dehydrogenase of pyruvate dehydrogenase from escherichia coli | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Chandrasekhar, K, Arjunan, P, Furey, W. | Deposit date: | 2013-02-25 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insight to the Interaction of the Dihydrolipoamide Acetyltransferase (E2) Core with the Peripheral Components in the Escherichia coli Pyruvate Dehydrogenase Complex via Multifaceted Structural Approaches. J.Biol.Chem., 288, 2013
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6QOQ
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![BU of 6qoq by Molmil](/molmil-images/mine/6qoq) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 20 (6-Aminobenzothiazole) | Descriptor: | 1,3-benzothiazol-6-amine, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6QOX
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![BU of 6qox by Molmil](/molmil-images/mine/6qox) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 27 (Methyl 2-(hydroxymethyl)-6H-thieno[2,3-b]pyrrole-5-carboxylate) | Descriptor: | methyl 2-(hydroxymethyl)-6~{H}-thieno[2,3-b]pyrrole-5-carboxylate, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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7XTG
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![BU of 7xtg by Molmil](/molmil-images/mine/7xtg) | Cryo-EM structure of Listeria monocytogenes man-PTS complexed with pediocin PA-1 | Descriptor: | Bacteriocin curvacin-A, Mannose permease IIC component, Mannose permease IID component, ... | Authors: | Zeng, J.W, Wang, J.W, Zhu, L.Y. | Deposit date: | 2022-05-17 | Release date: | 2023-06-07 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Structural Basis of the Immunity Mechanisms of Pediocin-like Bacteriocins. Appl.Environ.Microbiol., 88, 2022
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2PCB
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![BU of 2pcb by Molmil](/molmil-images/mine/2pcb) | |
4JMG
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![BU of 4jmg by Molmil](/molmil-images/mine/4jmg) | |
6ZWZ
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![BU of 6zwz by Molmil](/molmil-images/mine/6zwz) | |
6ZX1
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![BU of 6zx1 by Molmil](/molmil-images/mine/6zx1) | OMPD-domain of human UMPS in complex with 6-Aza-UMP at 1.0 Angstroms resolution | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, PROLINE, SULFATE ION, ... | Authors: | Tittmann, K, Rindfleisch, S, Krull, M. | Deposit date: | 2020-07-29 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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6ZWY
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![BU of 6zwy by Molmil](/molmil-images/mine/6zwy) | |
6ZX3
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![BU of 6zx3 by Molmil](/molmil-images/mine/6zx3) | OMPD-domain of human UMPS in complex with 6-thiocarboxamido-UMP at 1.15 Angstroms resolution | Descriptor: | GLYCEROL, PROLINE, SULFATE ION, ... | Authors: | Tittmann, K, Rindfleisch, S, Schimdt, T. | Deposit date: | 2020-07-29 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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6ZX2
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![BU of 6zx2 by Molmil](/molmil-images/mine/6zx2) | OMPD-domain of human UMPS in complex with 6-carboxamido-UMP at 1.2 Angstroms resolution | Descriptor: | PROLINE, SULFATE ION, Uridine 5'-monophosphate synthase, ... | Authors: | Tittmann, K, Rindfleisch, S, Schimdt, T. | Deposit date: | 2020-07-29 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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6ZX0
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![BU of 6zx0 by Molmil](/molmil-images/mine/6zx0) | OMPD-domain of human UMPS in complex with the substrate OMP at 1.25 Angstroms resolution | Descriptor: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | Authors: | Tittmann, K, Rindfleisch, S, Krull, M. | Deposit date: | 2020-07-29 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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6ER2
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![BU of 6er2 by Molmil](/molmil-images/mine/6er2) | |
7Y3G
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![BU of 7y3g by Molmil](/molmil-images/mine/7y3g) | Cryo-EM structure of a class A orphan GPCR | Descriptor: | G-protein coupled receptor 12, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Liu, Z.J, Hua, T, Li, H, Zhang, J.Y, Luo, F. | Deposit date: | 2022-06-10 | Release date: | 2023-06-07 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Structural insight into the constitutive activity of human orphan receptor GPR12. Sci Bull (Beijing), 68, 2023
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5K4L
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![BU of 5k4l by Molmil](/molmil-images/mine/5k4l) | |
6B2P
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![BU of 6b2p by Molmil](/molmil-images/mine/6b2p) | Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis | Descriptor: | 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknB | Authors: | Zuccola, H.J. | Deposit date: | 2017-09-20 | Release date: | 2018-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions. ACS Med Chem Lett, 8, 2017
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6VDR
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![BU of 6vdr by Molmil](/molmil-images/mine/6vdr) | Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Deuteroporphyrin IX and Substrate 4-bromophenol | Descriptor: | 1,2-ETHANEDIOL, 4-BROMOPHENOL, Dehaloperoxidase B, ... | Authors: | Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T. | Deposit date: | 2019-12-27 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme To Be Published
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4N3B
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![BU of 4n3b by Molmil](/molmil-images/mine/4n3b) | Crystal Structure of human O-GlcNAc Transferase bound to a peptide from HCF-1 pro-repeat2(1-26)E10Q and UDP-5SGlcNAc | Descriptor: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, Host cell factor 1, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | Authors: | Lazarus, M.B, Herr, W, Walker, S. | Deposit date: | 2013-10-06 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | HCF-1 is cleaved in the active site of O-GlcNAc transferase. Science, 342, 2013
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7XRF
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![BU of 7xrf by Molmil](/molmil-images/mine/7xrf) | Crystal structaure of DgpB/C complex | Descriptor: | AP_endonuc_2 domain-containing protein, DgpB, MANGANESE (II) ION | Authors: | Ma, M, He, P. | Deposit date: | 2022-05-10 | Release date: | 2023-02-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.137 Å) | Cite: | Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase. Acta Pharm Sin B, 13, 2023
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7XRE
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![BU of 7xre by Molmil](/molmil-images/mine/7xre) | Crystal structure of DgpA | Descriptor: | DgpA, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Ma, W, He, P. | Deposit date: | 2022-05-10 | Release date: | 2023-02-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase. Acta Pharm Sin B, 13, 2023
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4N3A
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![BU of 4n3a by Molmil](/molmil-images/mine/4n3a) | |
6VD3
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![BU of 6vd3 by Molmil](/molmil-images/mine/6vd3) | |
5O77
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![BU of 5o77 by Molmil](/molmil-images/mine/5o77) | Klebsiella pneumoniae OmpK35 | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, OmpK35 | Authors: | van den berg, B, Pathania, M, Zahn, M. | Deposit date: | 2017-06-08 | Release date: | 2018-06-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins. Acs Infect Dis., 4, 2018
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