3NDA
 
 | | Crystal structure of serpin from tick Ixodes ricinus | | Descriptor: | PENTAETHYLENE GLYCOL, Serpin-2 | | Authors: | Rezacova, P, Kovarova, Z, Chmelar, J, Mares, M. | | Deposit date: | 2010-06-07 | | Release date: | 2010-10-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A tick salivary protein targets cathepsin G and chymase and inhibits host inflammation and platelet aggregation.
Blood, 117, 2011
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8I3B
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5AP4
 | | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, ... | | Authors: | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S. | | Deposit date: | 2015-09-14 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
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8I39
 | | Cryo-EM structure of abscisic acid transporter AtABCG25 with ABA | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABC transporter G family member 25 | | Authors: | Huang, X, Zhang, X, Zhang, P. | | Deposit date: | 2023-01-16 | | Release date: | 2023-09-13 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Cryo-EM structure and molecular mechanism of abscisic acid transporter ABCG25.
Nat.Plants, 9, 2023
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1Y7J
 | | NMR structure family of Human Agouti Signalling Protein (80-132: Q115Y, S124Y) | | Descriptor: | Agouti Signaling Protein | | Authors: | McNulty, J.C, Jackson, P.J, Thompson, D.A, Chai, B, Gantz, I, Barsh, G.S, Dawson, P.E, Millhauser, G.L. | | Deposit date: | 2004-12-08 | | Release date: | 2005-02-15 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Structures of the agouti signaling protein.
J.Mol.Biol., 346, 2005
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8I3C
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1KV1
 | | p38 MAP Kinase in Complex with Inhibitor 1 | | Descriptor: | 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, p38 MAP kinase | | Authors: | Pargellis, C, Tong, L, Churchill, L, Cirillo, P.F, Gilmore, T, Graham, A.G, Grob, P.M, Hickey, E.R, Moss, N, Pav, S, Regan, J. | | Deposit date: | 2002-01-23 | | Release date: | 2002-03-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site.
Nat.Struct.Biol., 9, 2002
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4AE9
 | | Structure and function of the Human Sperm-Specific Isoform of Protein Kinase A (PKA) Catalytic Subunit C alpha 2 | | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA | | Authors: | Hereng, T.H, Backe, P.H, Kahmann, J, Scheich, C, Bjoras, M, Skalhegg, B.S, Rosendal, K.R. | | Deposit date: | 2012-01-09 | | Release date: | 2012-04-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and Function of the Human Sperm-Specific Isoform of Protein Kinase a (Pka) Catalytic Subunit Calpha2
J.Struct.Biol., 178, 2012
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1A4K
 | | DIELS ALDER CATALYTIC ANTIBODY WITH TRANSITION STATE ANALOGUE | | Descriptor: | ANTIBODY FAB, CADMIUM ION, [4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO-4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC-1-YLCARBAMOYLOXY]-ACETIC ACID | | Authors: | Spiller, B.W, Romesburg, F.E, Schultz, P.G, Stevens, R.C. | | Deposit date: | 1998-01-30 | | Release date: | 1998-05-13 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Immunological origins of binding and catalysis in a Diels-Alderase antibody.
Science, 279, 1998
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8I38
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3NF5
 | | Crystal structure of the C-terminal domain of nuclear pore complex component NUP116 from Candida glabrata | | Descriptor: | GLYCEROL, Nucleoporin NUP116 | | Authors: | Sampathkumar, P, Manglicmot, D, Bain, K, Gilmore, J, Gheyi, T, Rout, M, Sali, A, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-06-09 | | Release date: | 2010-08-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Atomic structure of the nuclear pore complex targeting domain of a Nup116 homologue from the yeast, Candida glabrata.
Proteins, 80, 2012
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5V9I
 | | Crystal structure of catalytic domain of G9a with MS0105 | | Descriptor: | GLYCEROL, Histone-lysine N-methyltransferase EHMT2, N~2~-cyclohexyl-N~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-N~2~-methylquinazoline-2,4-diamine, ... | | Authors: | Dong, A, Zeng, H, Liu, J, Xiong, Y, Babault, N, Jin, J, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Wu, H, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-03-23 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal structure of catalytic domain of G9a with MS0105
to be published
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5MLP
 | | Structure of CDPS from Rickettsiella grylli | | Descriptor: | Uncharacterized protein | | Authors: | Bourgeois, G, Seguin, J, Moutiez, M, Babin, M, Belin, P, Mechulam, Y, Gondry, M, Schmitt, E. | | Deposit date: | 2016-12-07 | | Release date: | 2018-05-02 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural basis for partition of the cyclodipeptide synthases into two subfamilies.
J.Struct.Biol., 203, 2018
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8I3A
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5MS3
 | | Kallikrein-related peptidase 8 calcium complex | | Descriptor: | CALCIUM ION, Kallikrein-8 | | Authors: | Debela, M, Magdolen, V, Skala, W, Bode, W, Brandstetter, H, Goettig, P. | | Deposit date: | 2016-12-30 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Specificity profiles and antagonistic Ca2+ and Zn2+ regulation of human KLK8/neuropsin activity by modules identified in crystal structures
To Be Published
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5MO6
 | | Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound | | Descriptor: | 3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoic acid, ACETATE ION, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2016-12-13 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.825 Å) | | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
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1M9S
 | | Crystal structure of Internalin B (InlB), a Listeria monocytogenes virulence protein containing SH3-like domains. | | Descriptor: | Internalin B, SULFATE ION, TERBIUM(III) ION | | Authors: | Marino, M, Banerjee, M, Jonquieres, R, Cossart, P, Ghosh, P. | | Deposit date: | 2002-07-29 | | Release date: | 2002-11-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | GW domains of the Listeria monocytogenes invasion protein InlB are SH3-like and mediate binding to host ligands
Embo J., 21, 2002
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1UM4
 | | Catalytic Antibody 21H3 with hapten | | Descriptor: | (1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE, Antibody 21H3 H chain, Antibody 21H3 L chain | | Authors: | Beuscher IV, A.E, Reuter, J, Olson, A.J, Romesberg, F.E, Schultz, P.G, Wirsching, P, Janda, K.D, Lerner, R.A, Stevens, R.C. | | Deposit date: | 2003-09-23 | | Release date: | 2004-10-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Studies of an Efficient Catalytic Antibody Operating by Ping-Pong and Induced Fit Mechanisms
To be Published
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4ACM
 | | CDK2 IN COMPLEX WITH 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}-PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE | | Descriptor: | 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, CYCLIN-DEPENDENT KINASE 2, GLYCEROL | | Authors: | Berg, S, Bhat, R, Anderson, M, Bergh, M, Brassington, C, Hellberg, S, Jerning, E, Hogdin, K, Lo-Alfredsson, Y, Neelissen, J, Nilsson, Y, Ormo, M, Soderman, P, Stanway, J, Tucker, J, von Berg, S, Weigelt, T, Xue, Y. | | Deposit date: | 2011-12-16 | | Release date: | 2012-05-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
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2YZ2
 | | Crystal structure of the ABC transporter in the cobalt transport system | | Descriptor: | Putative ABC transporter ATP-binding protein TM_0222 | | Authors: | Ethayathullah, A.S, Bessho, Y, Padmanabhan, B, Singh, T.P, Kaur, P, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-05-02 | | Release date: | 2007-11-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the ABC transporter in the cobalt transport system
To be Published
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2X23
 | | crystal structure of M. tuberculosis InhA inhibited by PT70 | | Descriptor: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, DIMETHYL SULFOXIDE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], ... | | Authors: | Luckner, S.R, Liu, N, am Ende, C.W, Tonge, P.J, Kisker, C. | | Deposit date: | 2010-01-10 | | Release date: | 2010-03-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.807 Å) | | Cite: | A Slow, Tight Binding Inhibitor of Inha, the Enoyl-Acyl Carrier Protein Reductase from Mycobacterium Tuberculosis.
J.Biol.Chem., 285, 2010
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3FZ2
 | | Crystal structure of the tail terminator protein from phage lambda (gpU-D74A) | | Descriptor: | Minor tail protein U, SULFATE ION | | Authors: | Pell, L.G, Liu, A, Edmonds, E, Donaldson, L.W, Howell, P.L, Davidson, A.R. | | Deposit date: | 2009-01-23 | | Release date: | 2009-05-26 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The X-ray crystal structure of the phage lambda tail terminator protein reveals the biologically relevant hexameric ring structure and demonstrates a conserved mechanism of tail termination among diverse long-tailed phages.
J.Mol.Biol., 389, 2009
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8I95
 | | Structure of EP54-C3aR-Go complex | | Descriptor: | Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, EP54 ligand, ... | | Authors: | Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C. | | Deposit date: | 2023-02-06 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
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3NN2
 | | Structure of chlorite dismutase from Candidatus Nitrospira defluvii in complex with cyanide | | Descriptor: | CYANIDE ION, Chlorite dismutase, GLYCEROL, ... | | Authors: | Kostan, J, Sjoeblom, B, Maixner, F, Mlynek, G, Furtmueller, P.G, Obinger, C, Wagner, M, Daims, H, Djinovic-Carugo, K. | | Deposit date: | 2010-06-23 | | Release date: | 2010-07-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural and functional characterisation of the chlorite dismutase from the nitrite-oxidizing bacterium "Candidatus Nitrospira defluvii": Identification of a catalytically important amino acid residue
J.Struct.Biol., 172, 2010
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8I9S
 | | Structure of Apo-C3aR-Go complex (Titan) | | Descriptor: | Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C. | | Deposit date: | 2023-02-07 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
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