8TDI
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![BU of 8tdi by Molmil](/molmil-images/mine/8tdi) | Structure of P2B11 Glucuronide-3-dehydrogenase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, P2B11 Glucuronide-3-dehydrogenase, ... | Authors: | Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J. | Deposit date: | 2023-07-03 | Release date: | 2024-06-12 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | An alternative broad-specificity pathway for glycan breakdown in bacteria. Nature, 631, 2024
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8B8D
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![BU of 8b8d by Molmil](/molmil-images/mine/8b8d) | multimerization domain of Gaboon Viper Virus 1 | Descriptor: | Phosphoprotein | Authors: | Tarbouriech, N, Legrand, P, Bouhris, J.M, Horie, M, Tomonaga, K, Crepin, T. | Deposit date: | 2022-10-04 | Release date: | 2022-11-23 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Borna Disease Virus 1 Phosphoprotein Forms a Tetramer and Interacts with Host Factors Involved in DNA Double-Strand Break Repair and mRNA Processing. Viruses, 14, 2022
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6QPE
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8TDF
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8B5H
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![BU of 8b5h by Molmil](/molmil-images/mine/8b5h) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (R)-7-((R)-1,2-dihydroxyethyl)-1,3-dimethyl-5-(1-methyl-1H-pyrazol-4-yl)-1,3-dihydro-2H-benzo[d]azepin-2-one | Descriptor: | (1~{R})-7-[(1~{R})-1,2-bis(oxidanyl)ethyl]-1,3-dimethyl-5-(1-methylpyrazol-4-yl)-1~{H}-3-benzazepin-2-one, 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ... | Authors: | Chung, C. | Deposit date: | 2022-09-22 | Release date: | 2022-11-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.603 Å) | Cite: | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432. J.Med.Chem., 65, 2022
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6G7R
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![BU of 6g7r by Molmil](/molmil-images/mine/6g7r) | Structure of fully reduced variant E28Q of E. coli hydrogenase-1 at pH 8 | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, FE3-S4 CLUSTER, ... | Authors: | Carr, S.B, Armstrong, F.A, Evans, R.M. | Deposit date: | 2018-04-06 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase. J. Am. Chem. Soc., 140, 2018
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6QPG
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![BU of 6qpg by Molmil](/molmil-images/mine/6qpg) | Influenza A virus Polymerase Heterotrimer A/nt/60/1968(H3N2) in complex with Nanobody NB8205 | Descriptor: | Nanobody NB8205, Polymerase acidic protein, Polymerase basic protein 2, ... | Authors: | Fan, H.T, Keown, J.R, Fodor, E, Grimes, J.M. | Deposit date: | 2019-02-13 | Release date: | 2019-09-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.34 Å) | Cite: | Structures of influenza A virus RNA polymerase offer insight into viral genome replication. Nature, 573, 2019
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8BFE
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![BU of 8bfe by Molmil](/molmil-images/mine/8bfe) | A dimeric de novo coiled-coil assembly: PK-2 (CC-TypeN-LaUbUcLd) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CC-TypeN-LaUbUcLd, ... | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | Deposit date: | 2022-10-25 | Release date: | 2022-11-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
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6QQY
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![BU of 6qqy by Molmil](/molmil-images/mine/6qqy) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 5-azanyl-3-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-19 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6HDZ
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![BU of 6hdz by Molmil](/molmil-images/mine/6hdz) | Pseudomonas aeruginosa Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-Sulfamoyl)uridine | Descriptor: | 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-Sulfamoyl)uridine, SODIUM ION, ... | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2018-08-20 | Release date: | 2019-12-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases. Acs Chem.Biol., 15, 2020
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6D4A
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![BU of 6d4a by Molmil](/molmil-images/mine/6d4a) | Cell Surface Receptor with Bound Ligand at 1.75-A Resolution | Descriptor: | 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, GLYCEROL, Myeloid cell surface antigen CD33 | Authors: | Hermans, S.J, Miles, L.A, Parker, M.W. | Deposit date: | 2018-04-17 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis. Iscience, 19, 2019
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8B5I
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![BU of 8b5i by Molmil](/molmil-images/mine/8b5i) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one | Descriptor: | (1~{R})-7,8-dimethoxy-1,3-dimethyl-1~{H}-3-benzazepin-2-one, 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | Authors: | Chung, C. | Deposit date: | 2022-09-22 | Release date: | 2022-11-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.604 Å) | Cite: | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432. J.Med.Chem., 65, 2022
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5VXJ
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![BU of 5vxj by Molmil](/molmil-images/mine/5vxj) | 2.50 A resolution structure of IpaD from Shigella flexneri in complex with single-domain antibody JMK-E3 | Descriptor: | Invasin IpaD, single-domain antibody JMK-E3 | Authors: | Barta, M.L, Lovell, S, Battaile, K.P, Picking, W.D, Picking, W.L. | Deposit date: | 2017-05-23 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 2.50 A resolution structure of IpaD from Shigella flexneri in complex with single-domain antibody JMK-E3 To Be Published
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7LRH
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![BU of 7lrh by Molmil](/molmil-images/mine/7lrh) | C-terminal domain of RibD from Brucella abortus (5-amino-6-ribosylamino-2,4(1H,3H)-pyrimidinedione 5'-phosphate reductase) | Descriptor: | Riboflavin biosynthesis protein RibD, SULFATE ION | Authors: | Bonomi, H.R, Cerutti, M.L, Posadas, D.M, Goldbaum, F.A, Klinke, S. | Deposit date: | 2021-02-16 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | C-terminal domain of RibD from Brucella abortus (5-amino-6-ribosylamino-2,4(1H,3H)-pyrimidinedione 5'-phosphate reductase) To be published
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6QR6
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![BU of 6qr6 by Molmil](/molmil-images/mine/6qr6) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 5-azanyl-3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, 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: | 2019-02-19 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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8B5J
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![BU of 8b5j by Molmil](/molmil-images/mine/8b5j) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one | Descriptor: | (5~{R})-7,8-dimethoxy-3,5-dimethyl-2,5-dihydro-1~{H}-3-benzazepin-4-one, 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | Authors: | Chung, C. | Deposit date: | 2022-09-22 | Release date: | 2022-11-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.603 Å) | Cite: | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432. J.Med.Chem., 65, 2022
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6G2F
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![BU of 6g2f by Molmil](/molmil-images/mine/6g2f) | X-ray structure of NSD3-PWWP1 in complex with compound 16 | Descriptor: | 4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole, Histone-lysine N-methyltransferase NSD3 | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-23 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6QPK
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5VYO
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6QRH
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5VXC
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6ZBP
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![BU of 6zbp by Molmil](/molmil-images/mine/6zbp) | H11-H4 complex with SARS-CoV-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, H11-H4, SULFATE ION, ... | Authors: | Naismith, J.H, Huo, J, Mikolajek, H, Ward, P, Dumoux, M, Owens, R.J, LeBas, A. | Deposit date: | 2020-06-08 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | H11-D4 complex with SARS-CoV-2 RBD To Be Published
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6QPN
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![BU of 6qpn by Molmil](/molmil-images/mine/6qpn) | Adenovirus species D serotype 49 Fiber-Knob | Descriptor: | Fiber, SULFATE ION | Authors: | Baker, A.T, Rizkallah, P.J. | Deposit date: | 2019-02-14 | Release date: | 2020-08-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | The Fiber Knob Protein of Human Adenovirus Type 49 Mediates
Highly Efficient and Promiscuous Infection of Cancer Cell Lines
Using a Novel Cell Entry Mechanism Journal of Virology, 95, 2021
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7LXP
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6G3I
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![BU of 6g3i by Molmil](/molmil-images/mine/6g3i) | Crystal structure of EDDS lyase in complex with N-(2-aminoethyl)aspartic acid (AEAA) | Descriptor: | (2~{S})-2-(2-azanylethylamino)butanedioic acid, Argininosuccinate lyase, FUMARIC ACID | Authors: | Poddar, H, Thunnissem, A.M.W.H, Poelarends, G.J. | Deposit date: | 2018-03-25 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structural Basis for the Catalytic Mechanism of Ethylenediamine- N, N'-disuccinic Acid Lyase, a Carbon-Nitrogen Bond-Forming Enzyme with a Broad Substrate Scope. Biochemistry, 57, 2018
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