6C99
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![BU of 6c99 by Molmil](/molmil-images/mine/6c99) | Crystal structure of FcRn bound to UCB-303 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, CITRIC ACID, ... | Authors: | Fox III, D, Abendroth, J, Porter, J, Deboves, H. | Deposit date: | 2018-01-25 | Release date: | 2018-05-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR. PLoS Biol., 16, 2018
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6MOB
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![BU of 6mob by Molmil](/molmil-images/mine/6mob) | Crystal structure of KIT1 in complex with DP2976 via co-crystallization | Descriptor: | Mast/stem cell growth factor receptor Kit, N-{4-chloro-5-[1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl]-2-fluorophenyl}-N'-phenylurea, NITRATE ION | Authors: | Edwards, T.E, Abendroth, J, Safford, K, Chun, L. | Deposit date: | 2018-10-04 | Release date: | 2019-07-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ripretinib (DCC-2618) Is a Switch Control Kinase Inhibitor of a Broad Spectrum of Oncogenic and Drug-Resistant KIT and PDGFRA Variants. Cancer Cell, 35, 2019
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7TI0
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![BU of 7ti0 by Molmil](/molmil-images/mine/7ti0) | Structure of CTX-M-15 bound to RPX-7063 at 1.5A | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Clifton, M.C, Abendroth, J, Hecker, S.J, Edwards, T.E. | Deposit date: | 2022-01-12 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability. Bioorg.Med.Chem., 62, 2022
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7TI1
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![BU of 7ti1 by Molmil](/molmil-images/mine/7ti1) | Structure of AmpC bound to RPX-7063 at 2.0A | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Clifton, M.C, Abendroth, J, Edwards, T.E, Hecker, S.J. | Deposit date: | 2022-01-12 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability. Bioorg.Med.Chem., 62, 2022
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7UMP
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![BU of 7ump by Molmil](/molmil-images/mine/7ump) | CRYSTAL STRUCTURE OF PHD2 CATALYTIC DOMAIN (CID 7465) IN COMPLEX WITH AKB-6548 AT 1.8 A RESOLUTION | Descriptor: | 1,2-ETHANEDIOL, Egl nine homolog 1, FE (II) ION, ... | Authors: | Davie, D.R, Abendroth, J, Boyd, J. | Deposit date: | 2022-04-07 | Release date: | 2022-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Preclinical Characterization of Vadadustat (AKB-6548), an Oral Small Molecule Hypoxia-Inducible Factor Prolyl-4-Hydroxylase Inhibitor, for the Potential Treatment of Renal Anemia. J.Pharmacol.Exp.Ther., 383, 2022
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7JWL
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![BU of 7jwl by Molmil](/molmil-images/mine/7jwl) | Crystal Structure of Pseudomonas aeruginosa Penicillin Binding Protein 3 (PAE-PBP3) bound to ETX0462 | Descriptor: | CHLORIDE ION, ETX0462 (Bound form), Peptidoglycan D,D-transpeptidase FtsI | Authors: | Mayclin, S.J, Abendroth, J, Horanyi, P.S, Sylvester, M, Wu, X, Shapiro, A, Moussa, S, Durand-Reville, T.F. | Deposit date: | 2020-08-25 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational design of a new antibiotic class for drug-resistant infections. Nature, 597, 2021
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4NPS
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![BU of 4nps by Molmil](/molmil-images/mine/4nps) | Crystal Structure of Bep1 protein (VirB-translocated Bartonella effector protein) from Bartonella clarridgeiae | Descriptor: | ACETATE ION, Bartonella effector protein (Bep) substrate of VirB T4SS | Authors: | Dranow, D.M, Abendroth, J, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2013-11-22 | Release date: | 2014-10-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Evolutionary Diversification of Host-Targeted Bartonella Effectors Proteins Derived from a Conserved FicTA Toxin-Antitoxin Module. Microorganisms, 9, 2021
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7KP9
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![BU of 7kp9 by Molmil](/molmil-images/mine/7kp9) | asymmetric hTNF-alpha | Descriptor: | 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole, Tumor necrosis factor | Authors: | Arakaki, T.L, Abendroth, J, Fairman, J.W, Foley, A, Ceska, T. | Deposit date: | 2020-11-10 | Release date: | 2021-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF. Nat Commun, 12, 2021
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6MBQ
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![BU of 6mbq by Molmil](/molmil-images/mine/6mbq) | Crystal structure of Mg-free wild-type KRAS (2-166) bound to GMPPNP in the state 1 conformation | Descriptor: | 1,2-ETHANEDIOL, GTPase KRas, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Dharmaiah, S, Davies, D.R, Abendroth, J, Gillette, W.G, Stephen, A.G, Simanshu, D.K. | Deposit date: | 2018-08-30 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structures of N-terminally processed KRAS provide insight into the role of N-acetylation. Sci Rep, 9, 2019
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7K5M
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![BU of 7k5m by Molmil](/molmil-images/mine/7k5m) | CRYSTAL STRUCTURE OF HBV CAPSID Y132A MUTANT IN COMPLEX WITH N-(3-chloro-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide AT 2.65A RESOLUTION | Descriptor: | Capsid protein, ISOPROPYL ALCOHOL, N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide | Authors: | Kuduk, S.D, Stoops, B, Alexander, R, Lam, A.M, Espiritu, C, Vogel, R, Lau, V, Klumpp, K, Flores, O.A, Hartman, G.D, Lukacs, C.M, Abendroth, J. | Deposit date: | 2020-09-17 | Release date: | 2021-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Identification of a new class of HBV capsid assembly modulator. Bioorg.Med.Chem.Lett., 39, 2021
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3SDS
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3SI9
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![BU of 3si9 by Molmil](/molmil-images/mine/3si9) | Crystal structure of Dihydrodipicolinate Synthase from Bartonella Henselae | Descriptor: | 1,2-ETHANEDIOL, Dihydrodipicolinate synthase | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID), Staker, B.L, Abendroth, J, Sankaran, B. | Deposit date: | 2011-06-17 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cloning, expression, purification, crystallization and X-ray diffraction analysis of dihydrodipicolinate synthase from the human pathogenic bacterium Bartonella henselae strain Houston-1 at 2.1 angstrom resolution. Acta Crystallogr F Struct Biol Commun, 72, 2016
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