2UXW
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![BU of 2uxw by Molmil](/molmil-images/mine/2uxw) | Crystal structure of human very long chain acyl-CoA dehydrogenase (ACADVL) | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, TRANS DELTA2 PALMITENOYL-COENZYMEA, ... | Authors: | Pike, A.C.W, Hozjan, V, Smee, C, Berridge, G, Burgess, N, Salah, E, Bunkoczi, G, Uppenberg, J, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U. | Deposit date: | 2007-03-30 | Release date: | 2007-05-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structure of Human Very Long Chain Acyl- Coa Dehydrogenase (Acadvl) To be Published
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3CXD
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![BU of 3cxd by Molmil](/molmil-images/mine/3cxd) | Crystal structure of anti-osteopontin antibody 23C3 in complex with its epitope peptide | Descriptor: | Fab fragment of anti-osteopontin antibody 23C3, Heavy chain, Light chain, ... | Authors: | Du, J, Yang, H, Zhong, C, Ding, J. | Deposit date: | 2008-04-24 | Release date: | 2008-10-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular basis of recognition of human osteopontin by 23C3, a potential therapeutic antibody for treatment of rheumatoid arthritis J.Mol.Biol., 382, 2008
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2VEA
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![BU of 2vea by Molmil](/molmil-images/mine/2vea) | |
6GPA
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![BU of 6gpa by Molmil](/molmil-images/mine/6gpa) | Beta-1,4-galactanase from Bacteroides thetaiotaomicron with galactose | Descriptor: | Arabinogalactan endo-beta-1,4-galactanase, beta-D-galactopyranose | Authors: | Hekelaar, J, Boger, M, Leeuwen van, S.S, Lammerts van Bueren, A, Dijkhuizen, L. | Deposit date: | 2018-06-05 | Release date: | 2018-12-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural and functional characterization of a family GH53 beta-1,4-galactanase from Bacteroides thetaiotaomicron that facilitates degradation of prebiotic galactooligosaccharides. J. Struct. Biol., 205, 2019
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4MCY
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![BU of 4mcy by Molmil](/molmil-images/mine/4mcy) | Immune Receptor | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Citrullinated Vimentin, ... | Authors: | Scally, S.W, Rossjohn, J. | Deposit date: | 2013-08-22 | Release date: | 2013-11-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A molecular basis for the association of the HLA-DRB1 locus, citrullination, and rheumatoid arthritis. J.Exp.Med., 210, 2013
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8FUO
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![BU of 8fuo by Molmil](/molmil-images/mine/8fuo) | Fe-bound AibH1H2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amidohydrolase, FE (III) ION | Authors: | Powell, M.M, Rittle, J. | Deposit date: | 2023-01-17 | Release date: | 2023-04-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Enzymatic Hydroxylation of Aliphatic C-H Bonds by a Mn/Fe Cofactor. J.Am.Chem.Soc., 145, 2023
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5AAM
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![BU of 5aam by Molmil](/molmil-images/mine/5aam) | Structure of a redesigned cross-reactive antibody to dengue virus with increased in vivo potency | Descriptor: | ENVELOPE PROTEIN, SCFV513 | Authors: | Wong, Y.H, Robinson, L.N, Lescar, J, Sasisekharan, R. | Deposit date: | 2015-07-27 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure-Guided Design of an Anti-Dengue Antibody Directed to a Non-Immunodominant Epitope. Cell(Cambridge,Mass.), 162, 2015
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8FUN
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![BU of 8fun by Molmil](/molmil-images/mine/8fun) | Enzymatically Active, Mn/Fe Metallated Form of AibH1H2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amidohydrolase, FE (III) ION, ... | Authors: | Powell, M.M, Rittle, J. | Deposit date: | 2023-01-17 | Release date: | 2023-04-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Enzymatic Hydroxylation of Aliphatic C-H Bonds by a Mn/Fe Cofactor. J.Am.Chem.Soc., 145, 2023
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5LSI
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![BU of 5lsi by Molmil](/molmil-images/mine/5lsi) | CRYSTAL STRUCTURE OF THE KINETOCHORE MIS12 COMPLEX HEAD2 SUBDOMAIN CONTAINING DSN1 AND NSL1 FRAGMENTS | Descriptor: | Kinetochore-associated protein DSN1 homolog, Kinetochore-associated protein NSL1 homolog, SULFATE ION | Authors: | Vetter, I.R, Petrovic, A, Keller, J, Liu, Y. | Deposit date: | 2016-09-02 | Release date: | 2016-11-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Structure of the MIS12 Complex and Molecular Basis of Its Interaction with CENP-C at Human Kinetochores. Cell, 167, 2016
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2UZR
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![BU of 2uzr by Molmil](/molmil-images/mine/2uzr) | A transforming mutation in the pleckstrin homology domain of AKT1 in cancer (AKT1-PH_E17K) | Descriptor: | RAC-alpha serine/threonine-protein kinase | Authors: | Carpten, J.D, Faber, A.L, Horn, C, Donoho, G.P, Briggs, S.L, Robbins, C.M, Hostetter, G, Boguslawski, S, Moses, T.Y, Savage, S, Uhlik, M, Lin, A, Du, J, Qian, Y.W, Zeckner, D.J, Tucker-Kellogg, G, Touchman, J, Patel, K, Mousses, S, Bittner, M, Schevitz, R, Lai, M.H, Blanchard, K.L, Thomas, J.E. | Deposit date: | 2007-05-01 | Release date: | 2007-07-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | A transforming mutation in the pleckstrin homology domain of AKT1 in cancer. Nature, 448, 2007
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5LWR
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![BU of 5lwr by Molmil](/molmil-images/mine/5lwr) | Endothiapepsin in complex with a derivative of fragment 177 | Descriptor: | 1,2-ETHANEDIOL, 4-[12-[(1-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazin-3-ium-3-yl)methyl]-10,11-dimethyl-3,4,6,7,11-pentazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-5-yl]-1,2,5-trimethyl-pyrrole-3-carbaldehyde, ACETATE ION, ... | Authors: | Ehrmann, F.R, Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-09-19 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.249 Å) | Cite: | A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring. Angew. Chem. Int. Ed. Engl., 56, 2017
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5FOB
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![BU of 5fob by Molmil](/molmil-images/mine/5fob) | Crystal Structure of Human Complement C3b in complex with Smallpox Inhibitor of Complement (SPICE) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COMPLEMENT C3 BETA CHAIN, ... | Authors: | Forneris, F, Wu, J, Xue, X, Gros, P. | Deposit date: | 2015-11-18 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode. Embo J., 35, 2016
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7KGK
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![BU of 7kgk by Molmil](/molmil-images/mine/7kgk) | Crystal structure of synthetic nanobody (Sb16) complexes with SARS-CoV-2 receptor binding domain | Descriptor: | Sb16, Sybody-16, Synthetic Nanobody, ... | Authors: | Jiang, J, Ahmad, J, Natarajan, K, Boyd, L.F, Margulies, D.H. | Deposit date: | 2020-10-16 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction. J.Biol.Chem., 297, 2021
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7KNE
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![BU of 7kne by Molmil](/molmil-images/mine/7kne) | Cryo-EM structure of single ACE2-bound SARS-CoV-2 trimer spike at pH 5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-11-04 | Release date: | 2020-12-16 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.85 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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5LLT
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![BU of 5llt by Molmil](/molmil-images/mine/5llt) | Plasmodium falciparum nicotinic acid mononucleotide adenylyltransferase complexed with NaAD | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICOTINIC ACID ADENINE DINUCLEOTIDE, ... | Authors: | Bathke, J, Fritz-Wolf, K, Brandstaedter, C, Rahlfs, S, Becker, K. | Deposit date: | 2016-07-28 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Functional Characterization of Plasmodium falciparum Nicotinic Acid Mononucleotide Adenylyltransferase. J. Mol. Biol., 428, 2016
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2UZP
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![BU of 2uzp by Molmil](/molmil-images/mine/2uzp) | Crystal structure of the C2 domain of human protein kinase C gamma. | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, COBALT (II) ION, ... | Authors: | Pike, A.C.W, Amos, A, Johansson, C, Sobott, F, Savitsky, P, Berridge, G, Fedorov, O, Umeano, C, Gorrec, F, Bunkoczi, G, Debreczeni, J, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | Deposit date: | 2007-04-30 | Release date: | 2007-05-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of C2 Domain of Protein Kinase C Gamma To be Published
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3W26
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![BU of 3w26 by Molmil](/molmil-images/mine/3w26) | The high-resolution crystal structure of TsXylA, intracellular xylanase from /Thermoanaerobacterium saccharolyticum JW/SL-YS485/: the complex of the E146A mutant with xylotriose | Descriptor: | Glycoside hydrolase family 10, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Han, X, Gao, J, Shang, N, Huang, C.-H, Ko, T.-P, Zhu, Z, Wiegel, J, Shao, W, Guo, R.-T. | Deposit date: | 2012-11-27 | Release date: | 2013-04-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and functional analyses of catalytic domain of GH10 xylanase from Thermoanaerobacterium saccharolyticum JW/SL-YS485 Proteins, 81, 2013
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5M3W
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![BU of 5m3w by Molmil](/molmil-images/mine/5m3w) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-1,2-dideoxymannose and alpha-1,2-mannobiose | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... | Authors: | Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | Deposit date: | 2016-10-17 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase. J. Am. Chem. Soc., 139, 2017
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5LM6
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![BU of 5lm6 by Molmil](/molmil-images/mine/5lm6) | VIM-2 metallo-beta-lactamase in complex with 2-(3-fluoro-4-hydroxyphenyl)-3-oxoisoindoline-4-carboxylic acid (compound 35) | Descriptor: | 2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid, FORMIC ACID, Metallo-beta-lactamase VIM-2, ... | Authors: | Li, G.-B, Brem, J, Someya, H, McDonough, M.A, Schofield, C.J. | Deposit date: | 2016-07-29 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci, 8, 2017
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8G2G
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![BU of 8g2g by Molmil](/molmil-images/mine/8g2g) | Crystal structure of PRMT3 with compound YD1113 | Descriptor: | 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3, SULFATE ION | Authors: | Song, X, Dong, A, Arrowsmith, C.H, Edwards, A.M, Deng, Y, Huang, R, Min, J. | Deposit date: | 2023-02-03 | Release date: | 2023-04-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors. Acta Pharm Sin B, 13, 2023
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3F91
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![BU of 3f91 by Molmil](/molmil-images/mine/3f91) | Structural Data for Human Active Site Mutant Enzyme Complexes | Descriptor: | 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cody, V, Pace, J, Makin, J, Piraino, J, Queener, S.F, Rosowsky, A. | Deposit date: | 2008-11-13 | Release date: | 2009-08-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes. Biochemistry, 48, 2009
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7KNI
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![BU of 7kni by Molmil](/molmil-images/mine/7kni) | Cryo-EM structure of Triple ACE2-bound SARS-CoV-2 Trimer Spike at pH 5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-11-04 | Release date: | 2020-12-16 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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1FK9
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![BU of 1fk9 by Molmil](/molmil-images/mine/1fk9) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ) | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ... | Authors: | Ren, J, Milton, J, Weaver, K.L, Short, S.A, Stuart, D.I, Stammers, D.K. | Deposit date: | 2000-08-09 | Release date: | 2000-11-03 | Last modified: | 2017-02-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase. STRUCTURE FOLD.DES., 8, 2000
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5FKL
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![BU of 5fkl by Molmil](/molmil-images/mine/5fkl) | TetR(D) H100A mutant in complex with anhydrotetracycline and magnesium | Descriptor: | 5A,6-ANHYDROTETRACYCLINE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Werten, S, Schneider, J, Palm, G.J, Hinrichs, W. | Deposit date: | 2015-10-17 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Modular Organisation of Inducer Recognition and Allostery in the Tetracycline Repressor FEBS J., 283, 2016
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5FKR
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![BU of 5fkr by Molmil](/molmil-images/mine/5fkr) | Unraveling the first step of xyloglucan degradation by the soil saprophyte Cellvibrio japonicus through the functional and structural characterization of a potent GH74 endo-xyloglucanase | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, ENDO-1,4-BETA-GLUCANASE/XYLOGLUCANASE, ... | Authors: | Attia, M, Stepper, J, Davies, G.J, Brumer, H. | Deposit date: | 2015-10-19 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Functional and Structural Characterization of a Potent Gh74 Endo-Xyloglucanase from the Soil Saprophyte Cellvibrio Japonicus Unravels the First Step of Xyloglucan Degradation. FEBS J., 283, 2016
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