4WI7
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![BU of 4wi7 by Molmil](/molmil-images/mine/4wi7) | Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation H435A | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region | Authors: | Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A. | Deposit date: | 2014-09-25 | Release date: | 2015-09-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice To Be Published
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6QOO
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![BU of 6qoo by Molmil](/molmil-images/mine/6qoo) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 18 (Isoxazole-5-carbothioamide) | Descriptor: | 1,2-oxazole-5-carbothioamide, 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 (1.94 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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8GBY
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![BU of 8gby by Molmil](/molmil-images/mine/8gby) | Crystal structure of PC39-50E, an anti-HIV broadly neutralizing antibody | Descriptor: | GLYCEROL, PC39-50E Fab heavy chain, PC39-50E Fab light chain | Authors: | Murrell, S, Omorodion, O, Wilson, I.A. | Deposit date: | 2023-02-28 | Release date: | 2023-06-07 | Last modified: | 2023-07-12 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies. Plos Pathog., 19, 2023
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8GBW
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![BU of 8gbw by Molmil](/molmil-images/mine/8gbw) | Crystal structure of PC39-23D, an anti-HIV broadly neutralizing antibody | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PC39-23D Fab heavy chain, ... | Authors: | Murrell, S, Omorodion, O, Wilson, I.A. | Deposit date: | 2023-02-28 | Release date: | 2023-06-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies. Plos Pathog., 19, 2023
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5IHD
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![BU of 5ihd by Molmil](/molmil-images/mine/5ihd) | Calcium(II) and copper(II) bound to the Z-DNA form of d(CGCGCG), complexed by L-lactate and succinate | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, CALCIUM ION, COPPER (II) ION, ... | Authors: | Rohner, M, Medina-Molner, A, Spingler, B. | Deposit date: | 2016-02-29 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | N,N,O and N,O,N Meridional cis Coordination of Two Guanines to Copper(II) by d(CGCGCG)2. Inorg.Chem., 55, 2016
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6QOG
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![BU of 6qog by Molmil](/molmil-images/mine/6qog) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 10 (2-Amino-5-bromobenzothiazole) | Descriptor: | 5-bromanyl-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 (1.55 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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8GC0
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![BU of 8gc0 by Molmil](/molmil-images/mine/8gc0) | Crystal structure of PC39-50L, an anti-HIV broadly neutralizing antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PC39-50L Fab heavy chain, PC39-50L Fab light chain | Authors: | Murrell, S, Omorodion, O, Wilson, I.A. | Deposit date: | 2023-02-28 | Release date: | 2023-06-07 | Last modified: | 2023-07-12 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies. Plos Pathog., 19, 2023
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6QRE
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![BU of 6qre by Molmil](/molmil-images/mine/6qre) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | (3-methoxyphenyl)methyl 1~{H}-pyrazole-4-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: | 2019-02-19 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches. J.Med.Chem., 62, 2019
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6MEG
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![BU of 6meg by Molmil](/molmil-images/mine/6meg) | Crystal structure of human monoclonal antibody HEPC46 | Descriptor: | antibody HEPC46 Heavy Chain, antibody HEPC46 Light Chain | Authors: | Flyak, A.I, Bjorkman, P.J. | Deposit date: | 2018-09-06 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | HCV Broadly Neutralizing Antibodies Use a CDRH3 Disulfide Motif to Recognize an E2 Glycoprotein Site that Can Be Targeted for Vaccine Design. Cell Host Microbe, 24, 2018
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5IIW
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![BU of 5iiw by Molmil](/molmil-images/mine/5iiw) | Corkscrew assembly of SOD1 residues 28-38 without potassium iodide | Descriptor: | Superoxide dismutase [Cu-Zn] | Authors: | Sangwan, S, Zhao, A, Sawaya, M.R, Eisenberg, D. | Deposit date: | 2016-03-01 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Atomic structure of a toxic, oligomeric segment of SOD1 linked to amyotrophic lateral sclerosis (ALS). Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5II2
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![BU of 5ii2 by Molmil](/molmil-images/mine/5ii2) | Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, CITRIC ACID, POTASSIUM ION, ... | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S. | Deposit date: | 2016-03-01 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis. J.Med.Chem., 59, 2016
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6EGR
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![BU of 6egr by Molmil](/molmil-images/mine/6egr) | Crystal structure of Citrobacter freundii methionine gamma-lyase with V358Y replacement | Descriptor: | DI(HYDROXYETHYL)ETHER, Methionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Revtovich, S.V, Demitri, N, Raboni, S, Nikulin, A.D, Morozova, E.A, Demidkina, T.V, Storici, P, Mozzarelli, A. | Deposit date: | 2017-09-12 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Engineering methionine gamma-lyase from Citrobacter freundii for anticancer activity. Biochim Biophys Acta Proteins Proteom, 1866, 2018
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6EH2
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![BU of 6eh2 by Molmil](/molmil-images/mine/6eh2) | Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and AMP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Mueller, J.M, Heine, A, Klebe, G. | Deposit date: | 2017-09-12 | Release date: | 2018-10-10 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
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6LK4
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![BU of 6lk4 by Molmil](/molmil-images/mine/6lk4) | Crystal structure of GMP reductase from Trypanosoma brucei in complex with guanosine 5'-triphosphate | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Guanosine 5'-monophosphate Reductase, PHOSPHATE ION | Authors: | Mase, H, Otani, T, Imamura, A, Nishimura, S, Inui, T. | Deposit date: | 2019-12-18 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Allosteric regulation accompanied by oligomeric state changes of Trypanosoma brucei GMP reductase through cystathionine-beta-synthase domain. Nat Commun, 11, 2020
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6OR6
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![BU of 6or6 by Molmil](/molmil-images/mine/6or6) | Full-length S. pombe Mdn1 in the presence of AMPPNP (tail region) | Descriptor: | Midasin | Authors: | Chen, Z, Suzuki, H, Wang, A.C, DiMaio, F, Walz, T, Kapoor, T.M. | Deposit date: | 2019-04-29 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (5.3 Å) | Cite: | Structural Insights into Mdn1, an Essential AAA Protein Required for Ribosome Biogenesis. Cell, 175, 2018
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8GC1
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![BU of 8gc1 by Molmil](/molmil-images/mine/8gc1) | |
6EIT
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![BU of 6eit by Molmil](/molmil-images/mine/6eit) | |
6QO6
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![BU of 6qo6 by Molmil](/molmil-images/mine/6qo6) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 4 (5-Methoxybenzimidazole) | Descriptor: | 5-METHOXYBENZIMIDAZOLE, 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: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.745 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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7R3Y
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![BU of 7r3y by Molmil](/molmil-images/mine/7r3y) | The crystal structure of the V426L variant of Pol2CORE in complex with DNA and an incoming nucleotide | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA Primer, ... | Authors: | Barbari, S.R, Beach, A.K, Markgren, J.G, Parkash, V, Johansson, E, Shcherbakova, P.V. | Deposit date: | 2022-02-08 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Enhanced polymerase activity permits efficient synthesis by cancer-associated DNA polymerase ε variants at low dNTP levels. Nucleic Acids Res., 50, 2022
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8GBZ
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![BU of 8gbz by Molmil](/molmil-images/mine/8gbz) | Crystal structure of PC39-55C, an anti-HIV broadly neutralizing antibody | Descriptor: | DI(HYDROXYETHYL)ETHER, PC39-55C Fab heavy chain, PC39-55C Fab light chain | Authors: | Murrell, S, Omorodion, O, Wilson, I.A. | Deposit date: | 2023-02-28 | Release date: | 2023-06-07 | Last modified: | 2023-07-12 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies. Plos Pathog., 19, 2023
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6QMR
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![BU of 6qmr by Molmil](/molmil-images/mine/6qmr) | Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid | Descriptor: | 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid, Complement factor D | Authors: | Karki, R, Powers, J, Mainolfi, N, Anderson, K, Belanger, D, Liu, D, Jendza, K, Gelin, C.F, Solovay, C, Mac Sweeeny, A, Delgado, O, Crowley, M, Liao, S.-M, Argikar, U.A, Flohr, S, La Bonte, L.R, Lorthiois, E.L, Vulpetti, A, Cumin, F, Brown, A, Adams, C, Jaffee, B, Mogi, M. | Deposit date: | 2019-02-08 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway. J.Med.Chem., 62, 2019
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6QOM
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![BU of 6qom by Molmil](/molmil-images/mine/6qom) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 16 (2-Amino-3-nitropyridine) | Descriptor: | 3-nitropyridin-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 (1.9 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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4WQB
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![BU of 4wqb by Molmil](/molmil-images/mine/4wqb) | Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - bisulfite soak | Descriptor: | DI(HYDROXYETHYL)ETHER, HEME C, IODIDE ION, ... | Authors: | Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-18 | Last modified: | 2015-04-15 | Method: | X-RAY DIFFRACTION (1.5013 Å) | Cite: | Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION. J.Biol.Chem., 290, 2015
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6OOL
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![BU of 6ool by Molmil](/molmil-images/mine/6ool) | Structural elucidation of the Ectodomain of mouse UNC5H2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Netrin receptor UNC5B, ... | Authors: | Stetefeld, J, McDougall, M.D, Loewen, P.C, Moya, A, Meier, M. | Deposit date: | 2019-04-23 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural elucidation of the Ectodomain of mouse UNC5H2 To be published
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6QOT
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![BU of 6qot by Molmil](/molmil-images/mine/6qot) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 23 (3-Amino-5-(4-methoxyphenyl)pyrazole) | Descriptor: | 1,2-ETHANEDIOL, 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-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 (1.62 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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