2V31
 
 | | Structure of First Catalytic Cysteine Half-domain of mouse ubiquitin- activating enzyme | | Descriptor: | UBIQUITIN-ACTIVATING ENZYME E1 X | | Authors: | Jaremko, L, Jaremko, M, Wojciechowski, W, Filipek, R, Szczepanowski, R.H, Bochtler, M, Zhukov, I. | | Deposit date: | 2007-06-11 | | Release date: | 2008-06-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of First Catalytic Cysteine Half-Domain of Mouse Ubiquitin-Activating Enzyme
To be Published
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1BS9
 | | ACETYLXYLAN ESTERASE FROM P. PURPUROGENUM REFINED AT 1.10 ANGSTROMS | | Descriptor: | ACETYL XYLAN ESTERASE, SULFATE ION | | Authors: | Ghosh, D, Erman, M, Sawicki, M.W, Lala, P, Weeks, D.R, Li, N, Pangborn, W, Thiel, D.J, Jornvall, H, Eyzaguirre, J. | | Deposit date: | 1998-09-01 | | Release date: | 1999-05-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Determination of a protein structure by iodination: the structure of iodinated acetylxylan esterase.
Acta Crystallogr.,Sect.D, 55, 1999
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1U9Q
 | | Crystal structure of cruzain bound to an alpha-ketoester | | Descriptor: | [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER, cruzipain | | Authors: | Lange, M, Weston, S.G, Cheng, H, Culliane, M, Fiorey, M.M, Grisostomi, C, Hardy, L.W, Hartstough, D.S, Pallai, P.V, Tilton, R.F, Baldino, C.M, Brinen, L.S, Engel, J.C, Choe, Y, Price, M.S, Craik, C.S. | | Deposit date: | 2004-08-10 | | Release date: | 2005-03-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Development of alpha-keto-based inhibitors of cruzain, a cysteine protease implicated in Chagas disease
Bioorg.Med.Chem., 13, 2005
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8JA1
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1S5I
 | | Fab (LNKB-2) of monoclonal antibody to Human Interleukin-2, crystal structure | | Descriptor: | Fab-fragment of monoclonal antibody | | Authors: | Pletnev, V.Z, Goryacheva, E.A, Tsygannik, I.N, Nesmeyanov, V.A, Pletnev, S.V, Pangborn, W, Duax, W. | | Deposit date: | 2004-01-21 | | Release date: | 2004-05-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | [A new crystal form of the Fab fragment of a monoclonal antibody to human interleukin-2: the three-dimensional structure at 2.7 A resolution].
Bioorg. Khim., 30
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4Y25
 | | Bacterial polysaccharide outer membrane secretin | | Descriptor: | Poly-beta-1,6-N-acetyl-D-glucosamine export protein | | Authors: | Wang, Y, AndolePannuri, A, Ni, D, Zhou, H, Cao, X, Lu, X, Romeo, T, Huang, Y. | | Deposit date: | 2015-02-09 | | Release date: | 2016-03-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.821 Å) | | Cite: | Structural Basis for Translocation of a Biofilm-supporting Exopolysaccharide across the Bacterial Outer Membrane
J.Biol.Chem., 291, 2016
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3A9Z
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4YU1
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8J7C
 | | Crystal structure of triosephosphate isomerase from Leishmania orientalis at 1.88A with an arsenic ion bound at Cys57 | | Descriptor: | ARSENIC, Triosephosphate isomerase | | Authors: | Kuaprasert, B, Attarataya, J, Riangrungroj, P, Pornthanakasem, W, Suginta, W, Mungthin, M, Leelayoova, S, Choowongkomon, K, Leartsakulpanich, U. | | Deposit date: | 2023-04-27 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Leishmania orientalis triosephosphate isomerase crystal structure at 1.45 angstroms resolution and its potential specific inhibitors
To be published
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2WDS
 | | Crystal structure of the Streptomyces coelicolor H110A AcpS mutant in complex with cofactor CoA at 1.3 A | | Descriptor: | COENZYME A, HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE, MAGNESIUM ION | | Authors: | Dall'Aglio, P, Arthur, C, Crump, M.P, Crosby, J, Hadfield, A.T. | | Deposit date: | 2009-03-26 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity.
Biochemistry, 50, 2011
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6F4C
 | | Nicotiana benthamiana alpha-galactosidase | | Descriptor: | alpha-galactosidase | | Authors: | Kytidou, K, Aerts, J.M.F.G, Pannu, N.S. | | Deposit date: | 2017-11-29 | | Release date: | 2018-04-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Nicotiana benthamianaalpha-galactosidase A1.1 can functionally complement human alpha-galactosidase A deficiency associated with Fabry disease.
J. Biol. Chem., 293, 2018
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2X53
 | | Structure of the phage p2 baseplate in its activated conformation with Sr | | Descriptor: | ORF15, ORF16, PUTATIVE RECEPTOR BINDING PROTEIN, ... | | Authors: | Sciara, G, Bebeacua, C, Bron, P, Tremblay, D, Ortiz-Lombardia, M, Lichiere, J, van Heel, M, Campanacci, V, Moineau, S, Cambillau, C. | | Deposit date: | 2010-02-05 | | Release date: | 2010-02-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Structure of Lactococcal Phage P2 Baseplate and its Mechanism of Activation.
Proc.Natl.Acad.Sci.USA, 107, 2010
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5N9S
 | | TTK kinase domain in complex with BAY 1161909 | | Descriptor: | (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, Dual specificity protein kinase TTK | | Authors: | Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R. | | Deposit date: | 2017-02-27 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
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5YKH
 | | Crystal structure of the engineered nine-repeat PUF domain | | Descriptor: | PHOSPHATE ION, Pumilio homolog 1 | | Authors: | Zhao, Y.Y, Wang, J, Li, H.T, Wang, Z.X, Wu, J.W. | | Deposit date: | 2017-10-14 | | Release date: | 2018-03-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.457 Å) | | Cite: | Expanding RNA binding specificity and affinity of engineered PUF domains.
Nucleic Acids Res., 46, 2018
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6K3Z
 | | Crystal structure of dCas9 in complex with sgRNA and DNA (TGA PAM) | | Descriptor: | CRISPR-associated endonuclease Cas9, DNA (28-MER), DNA (5'-D(*AP*AP*AP*TP*GP*AP*TP*AP*TP*TP*G)-3'), ... | | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | | Deposit date: | 2019-05-22 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease.
Plos Biol., 17, 2019
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6K4P
 | | Crystal structure of xCas9 in complex with sgRNA and DNA (TGG PAM) | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, DNA (28-MER), PHOSPHATE ION, ... | | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | | Deposit date: | 2019-05-25 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease.
Plos Biol., 17, 2019
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1BOZ
 | | STRUCTURE-BASED DESIGN AND SYNTHESIS OF LIPOPHILIC 2,4-DIAMINO-6-SUBSTITUTED QUINAZOLINES AND THEIR EVALUATION AS INHIBITORS OF DIHYDROFOLATE REDUCTASE AND POTENTIAL ANTITUMOR AGENTS | | Descriptor: | N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (DIHYDROFOLATE REDUCTASE) | | Authors: | Gangjee, A, Vidwans, A.P, Vasudevan, A, Queener, S.F, Kisliuk, R.L, Cody, V, Li, R, Galitsky, N, Luft, J.R, Pangborn, W. | | Deposit date: | 1998-08-06 | | Release date: | 1998-08-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-based design and synthesis of lipophilic 2,4-diamino-6-substituted quinazolines and their evaluation as inhibitors of dihydrofolate reductases and potential antitumor agents.
J.Med.Chem., 41, 1998
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6K4U
 | | Crystal structure of xCas9 in complex with sgRNA and DNA (TGA PAM) | | Descriptor: | CRISPR-associated endonuclease Cas9, non-target DNA, sgRNA, ... | | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | | Deposit date: | 2019-05-27 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease.
Plos Biol., 17, 2019
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6IW0
 | | Crystal structure of 5A ScFv in complex with YFV-17D sE in postfusion state | | Descriptor: | Envelope protein E, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A | | Authors: | Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F. | | Deposit date: | 2018-12-04 | | Release date: | 2019-02-13 | | Last modified: | 2019-02-27 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
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6IW1
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3B3X
 | | Crystal structure of class A beta-lactamase of Bacillus licheniformis BS3 with aminocitrate | | Descriptor: | 2-(carboxymethyl)-D-aspartic acid, Beta-lactamase | | Authors: | Sauvage, E, Herman, R, Kerff, F, Charlier, P. | | Deposit date: | 2007-10-23 | | Release date: | 2007-11-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 2-Aminopropane-1,2,3-tricarboxylic acid: Synthesis and co-crystallization with the class A beta-lactamase BS3 of Bacillus licheniformis
Bioorg.Med.Chem.Lett., 18, 2008
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4N9M
 | | Joint neutron/x-ray structure of urate oxidase in complex with 8-hydroxyxanthine | | Descriptor: | 8-hydroxy-3,9-dihydro-1H-purine-2,6-dione, CHLORIDE ION, SODIUM ION, ... | | Authors: | Oksanen, E, Blakeley, M.P, Budayova-Spano, M. | | Deposit date: | 2013-10-21 | | Release date: | 2014-02-05 | | Last modified: | 2018-06-13 | | Method: | NEUTRON DIFFRACTION (2.023 Å), X-RAY DIFFRACTION | | Cite: | The neutron structure of urate oxidase resolves a long-standing mechanistic conundrum and reveals unexpected changes in protonation.
Plos One, 9, 2014
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6HBN
 | | HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA/CSKN2A1 GENE PRODUCT) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27 | | Descriptor: | 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Niefind, K, Hochscherf, J, Dimper, V, Witulski, B, Lindenblatt, D, Jose, J, Le Borgne, M. | | Deposit date: | 2018-08-10 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
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6HHF
 | | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor Borussertib | | Descriptor: | Borussertib, RAC-alpha serine/threonine-protein kinase | | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | | Deposit date: | 2018-08-28 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib inKRAS-Mutant Pancreatic and Colorectal Cancer.
Cancer Res., 79, 2019
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7BX2
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