4FU0
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![BU of 4fu0 by Molmil](/molmil-images/mine/4fu0) | Crystal Structure of VanG D-Ala:D-Ser Ligase from Enterococcus faecalis | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase 7, SULFATE ION | Authors: | Meziane-Cherif, D, Saul, F.A, Haouz, A, Courvalin, P. | Deposit date: | 2012-06-28 | Release date: | 2012-09-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and functional characterization of VanG D-Ala:D-Ser ligase associated with vancomycin resistance in Enterococcus faecalis J.Biol.Chem., 287, 2012
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8E9P
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![BU of 8e9p by Molmil](/molmil-images/mine/8e9p) | Crystal structure of wild-type E. coli aspartate aminotransferase in the ligand-free form at 278 K | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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5CEV
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![BU of 5cev by Molmil](/molmil-images/mine/5cev) | ARGINASE FROM BACILLUS CALDEVELOX, L-LYSINE COMPLEX | Descriptor: | GUANIDINE, LYSINE, MANGANESE (II) ION, ... | Authors: | Bewley, M.C, Jeffrey, P.D, Patchett, M.L, Kanyo, Z.F, Baker, E.N. | Deposit date: | 1999-03-16 | Release date: | 1999-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of Bacillus caldovelox arginase in complex with substrate and inhibitors reveal new insights into activation, inhibition and catalysis in the arginase superfamily. Structure Fold.Des., 7, 1999
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6UKJ
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![BU of 6ukj by Molmil](/molmil-images/mine/6ukj) | Single-Particle Cryo-EM Structure of Plasmodium falciparum Chloroquine Resistance Transporter (PfCRT) 7G8 Isoform | Descriptor: | CHOLESTEROL HEMISUCCINATE, Chloroquine resistance transporter, Fab Heavy Chain, ... | Authors: | Kim, J, Tan, Y.Z, Wicht, K.J, Erramilli, S.K, Dhingra, S.K, Okombo, J, Vendome, J, Hagenah, L.M, Giacometti, S.I, Warren, A.L, Nosol, K, Roepe, P.D, Potter, C.S, Carragher, B, Kossiakoff, A.A, Quick, M, Fidock, D.A, Mancia, F. | Deposit date: | 2019-10-05 | Release date: | 2019-12-04 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure and drug resistance of the Plasmodium falciparum transporter PfCRT. Nature, 576, 2019
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8E9J
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![BU of 8e9j by Molmil](/molmil-images/mine/8e9j) | Crystal structure of E. coli aspartate aminotransferase mutant HEX in the ligand-free form at 278 K | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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6I6Z
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![BU of 6i6z by Molmil](/molmil-images/mine/6i6z) | |
8E9D
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![BU of 8e9d by Molmil](/molmil-images/mine/8e9d) | Crystal structure of E. coli aspartate aminotransferase mutant AIFS bound to maleic acid at 100 K | Descriptor: | Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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8DVB
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![BU of 8dvb by Molmil](/molmil-images/mine/8dvb) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with (1'-(4-((1-butylpyrrolidin-3-yl)methoxy)phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone | Descriptor: | Estrogen receptor, [(1'R)-1'-(4-{[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | Authors: | Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W. | Deposit date: | 2022-07-28 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells. NPJ Breast Cancer, 8, 2022
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5X42
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![BU of 5x42 by Molmil](/molmil-images/mine/5x42) | Structure of DotL(590-659)-DotN derived from Legionella pneumophila | Descriptor: | DotN, IcmJ (DotN), IcmO (DotL), ... | Authors: | Kwak, M.J, Kim, J.D, Oh, B.H. | Deposit date: | 2017-02-09 | Release date: | 2017-06-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Architecture of the type IV coupling protein complex of Legionella pneumophila Nat Microbiol, 2, 2017
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5K1R
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![BU of 5k1r by Molmil](/molmil-images/mine/5k1r) | |
3L7B
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![BU of 3l7b by Molmil](/molmil-images/mine/3l7b) | Crystal Structure of Glycogen Phosphorylase DK3 complex | Descriptor: | 4-amino-1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidin-2(1H)-one, Glycogen phosphorylase, muscle form | Authors: | Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D. | Deposit date: | 2009-12-28 | Release date: | 2010-10-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies. Bioorg.Med.Chem., 18, 2010
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8J4Z
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![BU of 8j4z by Molmil](/molmil-images/mine/8j4z) | |
8E9C
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![BU of 8e9c by Molmil](/molmil-images/mine/8e9c) | Crystal structure of E. coli aspartate aminotransferase mutant AIFS in the ligand-free form at 100 K | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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6RJ1
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![BU of 6rj1 by Molmil](/molmil-images/mine/6rj1) | |
6I43
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![BU of 6i43 by Molmil](/molmil-images/mine/6i43) | SFX Structure of Damage Free Ferric State of Dye Type Peroxidase Aa from Streptomyces lividans | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ebrahim, A, Moreno-Chicano, T, Chaplin, A.K, Sherrell, D.A, Duyvesteyn, H.M.E, Owada, S, Tono, K, Sugimoto, H, Strange, R.W, Worrall, J.A.R. | Deposit date: | 2018-11-08 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins. Iucrj, 6, 2019
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6AGL
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4QX6
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![BU of 4qx6 by Molmil](/molmil-images/mine/4qx6) | CRYSTAL STRUCTURE OF GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM STREPTOCOCCUS AGALACTIAE NEM316 at 2.46 ANGSTROM RESOLUTION | Descriptor: | 1,2-ETHANEDIOL, Glyceraldehyde 3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Ayres, C.A, Schormann, N, Banerjee, S, Chattopadhyay, D. | Deposit date: | 2014-07-18 | Release date: | 2014-10-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Structure of Streptococcus agalactiae glyceraldehyde-3-phosphate dehydrogenase holoenzyme reveals a novel surface. Acta Crystallogr F Struct Biol Commun, 70, 2014
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7WVM
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![BU of 7wvm by Molmil](/molmil-images/mine/7wvm) | The complex structure of PD-1 and cemiplimab | Descriptor: | Heavy Chain of Cemiplimab, Light Chain of Cemiplimab, Programmed cell death protein 1 | Authors: | Lu, D, Xu, Z.P, Liu, K.F, Tan, S.G, Gao, G.F, Chai, Y. | Deposit date: | 2022-02-10 | Release date: | 2022-04-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | PD-1 N58-Glycosylation-Dependent Binding of Monoclonal Antibody Cemiplimab for Immune Checkpoint Therapy. Front Immunol, 13, 2022
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7RM4
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8E9U
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![BU of 8e9u by Molmil](/molmil-images/mine/8e9u) | Crystal structure of E. coli aspartate aminotransferase mutant HEX in the ligand-free form at 303 K | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | Deposit date: | 2022-08-26 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Nat Commun, 14, 2023
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6S3U
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![BU of 6s3u by Molmil](/molmil-images/mine/6s3u) | Adhesin P140 from Mycoplasma Genitalium | Descriptor: | Adhesin P1 | Authors: | Fita, I, Aparicio, D. | Deposit date: | 2019-06-26 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Structure and mechanism of the Nap adhesion complex from the human pathogen Mycoplasma genitalium. Nat Commun, 11, 2020
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6AK8
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![BU of 6ak8 by Molmil](/molmil-images/mine/6ak8) | Pre-catalytic Ternary Complex of Human DNA Polymerase Mu with Templating Adenine and Incoming Ca-8oxodGTP | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Chang, Y.K, Wu, W.J, Tsai, M.D. | Deposit date: | 2018-08-30 | Release date: | 2019-05-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Human DNA Polymerase mu Can Use a Noncanonical Mechanism for Multiple Mn2+-Mediated Functions. J.Am.Chem.Soc., 141, 2019
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6AJ5
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![BU of 6aj5 by Molmil](/molmil-images/mine/6aj5) | Crystal structure of ligand-free type DHODH from Eimeria tenella | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | Authors: | Shiba, T, Inaoka, D.K, Sato, D, Hartuti, E.D, Amalia, E, Nagahama, M, Yoshioka, Y, Matsubayashi, M, Balogun, E.O, Tsuji, N, Kita, K, Harada, S. | Deposit date: | 2018-08-27 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural and Biochemical Features of Eimeria tenella Dihydroorotate Dehydrogenase, a Potential Drug Target. Genes (Basel), 11, 2020
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6S7K
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![BU of 6s7k by Molmil](/molmil-images/mine/6s7k) | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-(N-methylsulfamoyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | Descriptor: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | Authors: | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | Deposit date: | 2019-07-05 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode. J.Med.Chem., 62, 2019
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6UGT
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![BU of 6ugt by Molmil](/molmil-images/mine/6ugt) | Crystal structure of the Fab fragment of PF06438179/GP1111 an infliximab biosimilar in a I-centered orthorhombic crystal form, Lot A | Descriptor: | 1,2-ETHANEDIOL, PF06438179 Fab Heavy Chain, PF06438179 Fab Light Chain | Authors: | Lerch, T.F, Sharpe, P, Mayclin, S.J, Edwards, T.E, Polleck, S, Rouse, J.C, Conlan, H.D. | Deposit date: | 2019-09-26 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structures of PF-06438179/GP1111, an Infliximab Biosimilar. BioDrugs, 34, 2020
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