6FXN
 
 | | Crystal structure of human BAFF in complex with Fab fragment of anti-BAFF antibody belimumab | | Descriptor: | Tumor necrosis factor ligand superfamily member 13B, belimumab heavy chain, belimumab light chain | | Authors: | Lammens, A, Maskos, K, Willen, L, Jiang, X, Schneider, P. | | Deposit date: | 2018-03-09 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A loop region of BAFF controls B cell survival and regulates recognition by different inhibitors.
Nat Commun, 9, 2018
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7Q8O
 | | Peptide LLSGKE in complex with human cathepsin V C25S mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | | Deposit date: | 2021-11-11 | | Release date: | 2022-11-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
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5B39
 | | KIR3DL1*015 in complex with HLA-B*57:01 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Vivian, J.P, Rossjohn, J. | | Deposit date: | 2016-02-12 | | Release date: | 2016-03-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Killer cell immunoglobulin-like receptor 3DL1 polymorphism defines distinct hierarchies of HLA class I recognition
J.Exp.Med., 213, 2016
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7ZJ6
 | | X-31 Hemagglutinin Precursor HA0 at pH 7.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin,Fibritin, ... | | Authors: | Garcia-Moro, E, Rosenthal, P.B. | | Deposit date: | 2022-04-08 | | Release date: | 2022-08-17 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Reversible structural changes in the influenza hemagglutinin precursor at membrane fusion pH.
Proc.Natl.Acad.Sci.USA, 119, 2022
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1PXL
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-trifluoromethyl-phenyl)-amine | | Descriptor: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE, Cell division protein kinase 2 | | Authors: | Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D. | | Deposit date: | 2003-07-04 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop
Structure, 11, 2003
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2V1Z
 | | Structure of a TEM-1 beta-lactamase insertant allosterically regulated by kanamycin and anions. | | Descriptor: | BETA-LACTAMASE TEM, ZINC ION | | Authors: | Evrard, C, Barrios, H, Mathonet, P, Soumillion, P, Fastrez, J, Declercq, J.P. | | Deposit date: | 2007-05-31 | | Release date: | 2008-06-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Engineering an Allosteric Binding Site for Aminoglycosides Into Tem1-Beta-Lactamase.
Chembiochem, 12, 2011
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3KJZ
 | | Crystal structure of native peptidyl-tRNA hydrolase from Mycobacterium smegmatis | | Descriptor: | Peptidyl-tRNA hydrolase | | Authors: | Kumar, A, Singh, N, Yadav, R, Prem Kumar, R, Sharma, S, Arora, A, Singh, T.P. | | Deposit date: | 2009-11-04 | | Release date: | 2010-08-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of peptidyl-tRNA hydrolase from mycobacterium smegmatis reveals novel features related to enzyme dynamics.
Int J Biochem Mol Biol, 3, 2012
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5MA6
 | | GFP-binding DARPin 3G124nc | | Descriptor: | 1,2-ETHANEDIOL, 3G124nc, Green fluorescent protein, ... | | Authors: | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | | Deposit date: | 2016-11-03 | | Release date: | 2017-12-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
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5MKO
 | | [2Fe-2S] cluster containing TtuA in complex with AMP. | | Descriptor: | ADENOSINE MONOPHOSPHATE, FE2/S2 (INORGANIC) CLUSTER, TtuA PH0300, ... | | Authors: | Arragain, S, Bimai, O, Legrand, P, Golinelli-Pimpaneau, B. | | Deposit date: | 2016-12-05 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Nonredox thiolation in tRNA occurring via sulfur activation by a [4Fe-4S] cluster.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1Q3X
 | | Crystal structure of the catalytic region of human MASP-2 | | Descriptor: | GLYCEROL, Mannan-binding lectin serine protease 2, SODIUM ION | | Authors: | Harmat, V, Gal, P, Kardos, J, Szilagyi, K, Ambrus, G, Naray-Szabo, G, Zavodszky, P. | | Deposit date: | 2003-08-01 | | Release date: | 2004-08-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | The structure of MBL-associated serine protease-2 reveals that identical substrate specificities of C1s and MASP-2 are realized through different sets of enzyme-substrate interactions
J.Mol.Biol., 342, 2004
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13PK
 | | TERNARY COMPLEX OF PHOSPHOGLYCERATE KINASE FROM TRYPANOSOMA BRUCEI | | Descriptor: | 3-PHOSPHOGLYCERATE KINASE, 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Bernstein, B.E, Michels, P.A.M, Hol, W.G.J. | | Deposit date: | 1996-11-23 | | Release date: | 1997-12-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Synergistic effects of substrate-induced conformational changes in phosphoglycerate kinase activation.
Nature, 385, 1997
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1A9U
 | | THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB203580 | | Descriptor: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MAP KINASE P38 | | Authors: | Wang, Z, Canagarajah, B, Boehm, J.C, Kassis, S, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J. | | Deposit date: | 1998-04-10 | | Release date: | 1999-04-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
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7KIU
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2KH0
 | | 2-Hydroxy-7-nitrofluorene covalently linked into a 13mer DNA duplex - solution structure of the face-down orientation | | Descriptor: | 5'-D(*CP*GP*AP*CP*GP*TP*(3DR)P*TP*GP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*CP*AP*(3DR)P*AP*CP*GP*TP*CP*G)-3', 7-nitro-9H-fluoren-2-ol | | Authors: | Dallmann, A, Pfaffe, M, Muegge, C, Mahrwald, R, Kovalenko, S.A, Ernsting, N.P. | | Deposit date: | 2009-03-23 | | Release date: | 2009-12-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Local THz Time Domain Spectroscopy of Duplex DNA via Fluorescence of an Embedded Probe
J.Phys.Chem.B, 113, 2009
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3KR8
 | | Human tankyrase 2 - catalytic PARP domain in complex with an inhibitor XAV939 | | Descriptor: | 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, GLYCEROL, SULFATE ION, ... | | Authors: | Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Kotzsch, A, Kraulis, P, Nielsen, T.K, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-11-18 | | Release date: | 2009-12-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for the interaction between tankyrase-2 and a potent Wnt-signaling inhibitor.
J.Med.Chem., 53, 2010
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4QAJ
 | | Crystal structure of Peptidyl-tRNA hydrolase from Pseudomonas aeruginosa at 1.5 Angstrom resolution | | Descriptor: | Peptidyl-tRNA hydrolase | | Authors: | Singh, A, Kumar, A, Gautam, L, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Arora, A, Singh, T.P. | | Deposit date: | 2014-05-05 | | Release date: | 2014-05-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and binding studies of peptidyl-tRNA hydrolase from Pseudomonas aeruginosa provide a platform for the structure-based inhibitor design against peptidyl-tRNA hydrolase
Biochem.J., 463, 2014
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2GSE
 | | Crystal Structure of Human Dihydropyrimidinease-like 2 | | Descriptor: | CALCIUM ION, Dihydropyrimidinase-related protein 2 | | Authors: | Ogg, D, Stenmark, P, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Kotenyova, T, Kursula, P, Nilsson-Ehle, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Holmberg-Schiavone, L, Thorsell, A.G, Uppenberg, J, Van Den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-04-26 | | Release date: | 2006-05-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The structure of human collapsin response mediator protein 2, a regulator of axonal growth.
J.Neurochem., 101, 2007
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5J17
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5E5L
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6BPI
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates | | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, MLY-SER-THR-E2G, ... | | Authors: | MADER, P, Mendoza-Sanchez, R, DONG, A, DOBROVETSKY, E, IQBAL, A, CORLESS, V, TEMPEL, W, LIEW, S.K, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D.B, SCHAPIRA, M, VEDADI, M, BROWN, P.J, Santhakumar, V, FRYE, S, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-11-23 | | Release date: | 2017-12-27 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates
to be published
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1Z44
 | | Crystal structure of oxidized YqjM from Bacillus subtilis complexed with p-nitrophenol | | Descriptor: | FLAVIN MONONUCLEOTIDE, P-NITROPHENOL, Probable NADH-dependent flavin oxidoreductase yqjM, ... | | Authors: | Kitzing, K, Fitzpatrick, T.B, Wilken, C, Sawa, J, Bourenkov, G.P, Macheroux, P, Clausen, T. | | Deposit date: | 2005-03-15 | | Release date: | 2005-05-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The 1.3 A Crystal Structure of the Flavoprotein YqjM Reveals a Novel Class of Old Yellow Enzymes
J.Biol.Chem., 280, 2005
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5C6S
 | | Human Bromodomain and PHD Finger Containing 1, PWWP domain in complex with XST005904a | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Peregrin, ... | | Authors: | DONG, A, DOBROVETSKY, E, MADER, P, Santhakumar, S, TEMPEL, W, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-06-23 | | Release date: | 2015-07-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Human Bromodomain and PHD Finger Containing 1, PWWP domain in complex with XST005904a
to be published
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1LH7
 | | X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN) | | Descriptor: | LEGHEMOGLOBIN (NITROSOBENZENE), NITROSOBENZENE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V. | | Deposit date: | 1982-04-23 | | Release date: | 1983-01-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
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1DJ7
 | | CRYSTAL STRUCTURE OF FERREDOXIN THIOREDOXIN REDUCTASE | | Descriptor: | FERREDOXIN THIOREDOXIN REDUCTASE: CATALYTIC CHAIN, FERREDOXIN THIOREDOXIN REDUCTASE: VARIABLE CHAIN, IRON/SULFUR CLUSTER, ... | | Authors: | Dai, S, Schwendtmayer, C, Schurmann, P, Ramaswamy, S, Eklund, H. | | Deposit date: | 1999-12-02 | | Release date: | 2000-02-14 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Redox signaling in chloroplasts: cleavage of disulfides by an iron-sulfur cluster.
Science, 287, 2000
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8UXU
 | | Cryo-EM structure of a bacterial nitrilase filament with a covalent adduct derived from benzonitrile hydrolysis | | Descriptor: | Nitrilase, benzaldehyde | | Authors: | Aguirre-Sampieri, S, Casanal, A, Emsley, P, Garza-Ramos, G. | | Deposit date: | 2023-11-10 | | Release date: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Cryo-EM structure of bacterial nitrilase reveals insight into oligomerization, substrate recognition, and catalysis.
J.Struct.Biol., 216, 2024
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