8HZB
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6PMG
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4Y3K
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![BU of 4y3k by Molmil](/molmil-images/mine/4y3k) | Structure of Vaspin mutant E379S | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Serpin A12 | Authors: | Pippel, J, Strater, N, Ulbricht, D, Schultz, S, Meier, R, Heiker, J.T. | Deposit date: | 2015-02-10 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A unique serpin P1' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin). Biochem.J., 470, 2015
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3B3W
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![BU of 3b3w by Molmil](/molmil-images/mine/3b3w) | Crystal structure of the S228A mutant of the aminopeptidase from Vibrio proteolyticus in complex with leucine | Descriptor: | Bacterial leucyl aminopeptidase, LEUCINE, SODIUM ION, ... | Authors: | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | Deposit date: | 2007-10-22 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus. Biochemistry, 47, 2008
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6PZN
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3NF6
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![BU of 3nf6 by Molmil](/molmil-images/mine/3nf6) | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | Descriptor: | 1,2-ETHANEDIOL, 5-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | Authors: | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | Deposit date: | 2010-06-09 | Release date: | 2011-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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6PSC
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![BU of 6psc by Molmil](/molmil-images/mine/6psc) | Antibody scFv-M204 trimeric state | Descriptor: | scFv-M204 antibody | Authors: | Abskharon, R, Sawaya, M.R, Seidler, P.M, Cascio, D, Eisenberg, D.S. | Deposit date: | 2019-07-12 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Crystal structure of a conformational antibody that binds tau oligomers and inhibits pathological seeding by extracts from donors with Alzheimer's disease. J.Biol.Chem., 295, 2020
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8IJK
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![BU of 8ijk by Molmil](/molmil-images/mine/8ijk) | human KCNQ2-CaM-Ebio1 complex in the presence of PIP2 | Descriptor: | Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | Authors: | Ma, D, Guo, J. | Deposit date: | 2023-02-27 | Release date: | 2024-01-17 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | A small-molecule activation mechanism that directly opens the KCNQ2 channel. Nat.Chem.Biol., 20, 2024
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8HZS
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4Y8E
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![BU of 4y8e by Molmil](/molmil-images/mine/4y8e) | PA3825-EAL Ca-Apo Structure | Descriptor: | CALCIUM ION, PA3825 EAL | Authors: | Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M. | Deposit date: | 2015-02-16 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structure of PA3825 from P. aeruginosa bound to cyclic di-GMP and pGpG: new insights for a potential three-metal catalytic mechanism of EAL domains To Be Published
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8PVZ
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3B7I
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![BU of 3b7i by Molmil](/molmil-images/mine/3b7i) | Crystal structure of the S228A mutant of the aminopeptidase from Vibrio proteolyticus in complex with leucine phosphonic acid | Descriptor: | Bacterial leucyl aminopeptidase, LEUCINE, LEUCINE PHOSPHONIC ACID, ... | Authors: | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | Deposit date: | 2007-10-30 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus. Biochemistry, 47, 2008
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1CP6
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![BU of 1cp6 by Molmil](/molmil-images/mine/1cp6) | 1-BUTANEBORONIC ACID BINDING TO AEROMONAS PROTEOLYTICA AMINOPEPTIDASE | Descriptor: | 1-BUTANE BORONIC ACID, PROTEIN (AMINOPEPTIDASE), ZINC ION | Authors: | Depaola, C.C, Bennett, B, Holz, R.C, Ringe, D, Petsko, G.A. | Deposit date: | 1999-06-08 | Release date: | 1999-06-17 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 1-Butaneboronic acid binding to Aeromonas proteolytica aminopeptidase: a case of arrested development. Biochemistry, 38, 1999
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3B8G
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![BU of 3b8g by Molmil](/molmil-images/mine/3b8g) | Crysta structure of N-acetylglutamate synthase from Neisseria gonorrhoeae complexed with coenzyme A and N-acetyl-glutamate | Descriptor: | COENZYME A, N-ACETYL-L-GLUTAMATE, Putative acetylglutamate synthase | Authors: | Shi, D, Sagar, V, Jin, Z, Yu, X, Caldovic, L, Morizono, H, Allewell, N.M, Tuchman, M. | Deposit date: | 2007-11-01 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The crystal structure of N-acetyl-L-glutamate synthase from Neisseria gonorrhoeae provides insights into mechanisms of catalysis and regulation. J.Biol.Chem., 283, 2008
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6PXF
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![BU of 6pxf by Molmil](/molmil-images/mine/6pxf) | Structure of human Cathepsin K with an ectosteric inhibitor at 1.85 Angstrom resolution | Descriptor: | 1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid, Cathepsin K | Authors: | Law, S, Aguda, A.H, Nguyen, N.T, Brayer, G.D, Bromme, D. | Deposit date: | 2019-07-25 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of human Cathepsin K with an ectosteric inhibitor at 1.85 Angstrom resolution To Be Published
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3B8V
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![BU of 3b8v by Molmil](/molmil-images/mine/3b8v) | Crystal structure of Escherichia coli alaine racemase mutant E221K | Descriptor: | Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X. | Deposit date: | 2007-11-02 | Release date: | 2008-07-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis Protein Sci., 17, 2008
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4Y40
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![BU of 4y40 by Molmil](/molmil-images/mine/4y40) | Structure of Vaspin mutant D305C V383C | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Serpin A12 | Authors: | Pippel, J, Strater, N, Ulbricht, D, Schultz, S, Meier, R, Heiker, J.T. | Deposit date: | 2015-02-10 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A unique serpin P1' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin). Biochem.J., 470, 2015
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4YE0
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![BU of 4ye0 by Molmil](/molmil-images/mine/4ye0) | Stress-induced protein 1 truncation mutant (43 - 140) from Caenorhabditis elegans | Descriptor: | SULFATE ION, Stress-induced protein 1 | Authors: | Fleckenstein, T, Kastenmueller, A, Stein, M.L, Peters, C, Daake, M, Krause, M, Weinfurtner, D, Haslbeck, M, Weinkauf, S, Groll, M, Buchner, J. | Deposit date: | 2015-02-23 | Release date: | 2015-06-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Chaperone Activity of the Developmental Small Heat Shock Protein Sip1 Is Regulated by pH-Dependent Conformational Changes. Mol.Cell, 58, 2015
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3BBL
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6Q3Z
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![BU of 6q3z by Molmil](/molmil-images/mine/6q3z) | Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16k | Descriptor: | (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-04 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity. J.Med.Chem., 62, 2019
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4Y6U
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![BU of 4y6u by Molmil](/molmil-images/mine/4y6u) | Mycobacterial protein | Descriptor: | 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, CHLORIDE ION, ... | Authors: | Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E. | Deposit date: | 2015-02-13 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.271 Å) | Cite: | A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase. Angew.Chem.Int.Ed.Engl., 54, 2015
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4Y4O
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![BU of 4y4o by Molmil](/molmil-images/mine/4y4o) | Crystal structure of the Thermus thermophilus 70S ribosome with rRNA modifications and bound to protein Y (YfiA) at 2.3A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | Authors: | Polikanov, Y.S, Melnikov, S.V, Soll, D, Steitz, T.A. | Deposit date: | 2015-02-10 | Release date: | 2015-03-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insights into the role of rRNA modifications in protein synthesis and ribosome assembly. Nat.Struct.Mol.Biol., 22, 2015
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1FDS
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![BU of 1fds by Molmil](/molmil-images/mine/1fds) | HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 COMPLEXED WITH 17-BETA-ESTRADIOL | Descriptor: | 17-BETA-HYDROXYSTEROID-DEHYDROGENASE, ESTRADIOL | Authors: | Housset, D, Breton, R, Mazza, C, Fontecilla-Camps, J.-C. | Deposit date: | 1996-06-28 | Release date: | 1997-02-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structure of a complex of human 17beta-hydroxysteroid dehydrogenase with estradiol and NADP+ identifies two principal targets for the design of inhibitors. Structure, 4, 1996
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6PVB
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![BU of 6pvb by Molmil](/molmil-images/mine/6pvb) | The structure of NTMT1 in complex with compound 6 | Descriptor: | AMINO GROUP-()-(2~{S})-2-azanylpropanal-()-ISOLEUCINE-()-ARGININE-()-LYSINE-()-PROLINE-()-AMINO-ACETALDEHYDE-()-9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine, N-terminal Xaa-Pro-Lys N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Noinaj, N, Chen, D, Huang, R. | Deposit date: | 2019-07-20 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Probing the Plasticity in the Active Site of Protein N-terminal Methyltransferase 1 Using Bisubstrate Analogues. J.Med.Chem., 63, 2020
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2VLW
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![BU of 2vlw by Molmil](/molmil-images/mine/2vlw) | Crystal structure of the muscarinic toxin MT7 diiodoTYR51 derivative. | Descriptor: | ACETATE ION, MUSCARINIC M1-TOXIN1, SULFATE ION | Authors: | Menez, R, Granata, V, Mourier, G, Fruchart-Gaillard, C, Menez, A, Servant, D, Stura, E.A. | Deposit date: | 2008-01-17 | Release date: | 2008-10-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Different Interactions between Mt7 Toxin and the Human Muscarinic M1 Receptor in its Free and N-Methylscopolamine-Occupied States. Mol.Pharmacol., 74, 2008
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