4QEI
 
 | | Two distinct conformational states of GlyRS captured in crystal lattice | | Descriptor: | ADENOSINE MONOPHOSPHATE, Glycine--tRNA ligase, tRNA-Gly-CCC-2-2 | | Authors: | Xie, W, Qin, X, Deng, X, Zhang, Q, Li, Q. | | Deposit date: | 2014-05-16 | | Release date: | 2015-05-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.875 Å) | | Cite: | Large Conformational Changes of Insertion 3 in Human Glycyl-tRNA Synthetase (hGlyRS) during Catalysis
J.Biol.Chem., 291, 2016
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7FZA
 | | Crystal Structure of apo human FABP4, cubic form | | Descriptor: | CHLORIDE ION, Fatty acid-binding protein, adipocyte, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Crystal Structure of apo human FABP4
To be published
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4QF9
 | | Structure of GluK1 ligand-binding domain (S1S2) in complex with (S)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid at 2.28 A resolution | | Descriptor: | (2S)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Kristensen, C.M, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2014-05-20 | | Release date: | 2015-04-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Binding Mode of an alpha-Amino Acid-Linked Quinoxaline-2,3-dione Analogue at Glutamate Receptor Subtype GluK1.
ACS Chem Neurosci, 6, 2015
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1UXW
 | | CRYSTAL STRUCTURE OF HLA-B*2709 COMPLEXED WITH THE LATENT MEMBRANE PROTEIN 2 PEPTIDE (LMP2) OF EPSTEIN-BARR VIRUS | | Descriptor: | BETA-2-MICROGLOBULIN, GENE TERMINAL PROTEIN (MEMBRANE PROTEIN LMP-2A/LMP-2B), GLYCEROL, ... | | Authors: | Hulsmeyer, M, Kozerski, C, Fiorillo, M.T, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | | Deposit date: | 2004-03-01 | | Release date: | 2004-11-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Allele-Dependent Similarity between Viral and Self-Peptide Presentation by Hla-B27 Subtypes
J.Biol.Chem., 280, 2005
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4QFP
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4QMM
 | | MST3 IN COMPLEX WITH AT-9283, 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM | | Descriptor: | 1,2-ETHANEDIOL, 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, ACETATE ION, ... | | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2014-06-16 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.852 Å) | | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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4QMW
 | | MST3 IN COMPLEX WITH PP-121, 1-CYCLOPENTYL-3-(1H-PYRROLO[2,3-B]PYRIDIN-5-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE | | Descriptor: | 1,2-ETHANEDIOL, 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, ... | | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2014-06-16 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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4QN5
 | | Neuraminidase N5 binds LSTa at the second SIA binding site | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Sun, X, Li, Q, Wu, Y, Liu, Y, Qi, J, Vavricka, C.J, Gao, G.F. | | Deposit date: | 2014-06-17 | | Release date: | 2014-07-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of influenza virus N7: the last piece of the neuraminidase "jigsaw" puzzle.
J.Virol., 88, 2014
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1UWU
 | | Structure of beta-glycosidase from Sulfolobus solfataricus in complex with D-glucohydroximo-1,5-lactam | | Descriptor: | (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL, ACETATE ION, BETA-GALACTOSIDASE | | Authors: | Gloster, T.M, Roberts, S, Ducros, V.M.-A, Perugino, G, Rossi, M, Hoos, R, Moracci, M, Vasella, A, Davies, G.J. | | Deposit date: | 2004-02-11 | | Release date: | 2004-05-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural studies of the beta-glycosidase from Sulfolobus solfataricus in complex with covalently and noncovalently bound inhibitors.
Biochemistry, 43, 2004
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1UXS
 | | CRYSTAL STRUCTURE OF HLA-B*2705 COMPLEXED WITH THE LATENT MEMBRANE PROTEIN 2 PEPTIDE (LMP2)OF EPSTEIN-BARR VIRUS | | Descriptor: | BETA-2-MICROGLOBULIN, GENE TERMINAL PROTEIN (MEMBRANE PROTEIN LMP-2A/LMP-2B), GLYCEROL, ... | | Authors: | Hulsmeyer, M, Kozerski, C, Fiorillo, M.T, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | | Deposit date: | 2004-03-01 | | Release date: | 2004-11-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Allele-Dependent Similarity between Viral and Self-Peptide Presentation by Hla-B27 Subtypes
J.Biol.Chem., 280, 2005
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1UO9
 | | Deacetoxycephalosporin C synthase complexed with succinate | | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHETASE, FE (II) ION, SUCCINIC ACID | | Authors: | Valegard, K, Terwisscha Van scheltinga, A.C, Dubus, A, Oster, L.M, Rhangino, G, Hajdu, J, Andersson, I. | | Deposit date: | 2003-09-16 | | Release date: | 2004-01-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Structural Basis of Cephalosporin Formation in a Mononuclear Ferrous Enzyme
Nat.Struct.Mol.Biol., 11, 2004
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1UWQ
 | | Structure of beta-glycosidase from Sulfolobus solfataricus | | Descriptor: | ACETATE ION, BETA-GALACTOSIDASE | | Authors: | Gloster, T.M, Roberts, S, Ducros, V.M.-A, Perugino, G, Rossi, M, Hoos, R, Moracci, M, Vasella, A, Davies, G.J. | | Deposit date: | 2004-02-11 | | Release date: | 2004-05-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural studies of the beta-glycosidase from Sulfolobus solfataricus in complex with covalently and noncovalently bound inhibitors.
Biochemistry, 43, 2004
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1TGX
 | | X-RAY STRUCTURE AT 1.55 A OF TOXIN GAMMA, A CARDIOTOXIN FROM NAJA NIGRICOLLIS VENOM. CRYSTAL PACKING REVEALS A MODEL FOR INSERTION INTO MEMBRANES | | Descriptor: | CHLORIDE ION, GAMMA-CARDIOTOXIN | | Authors: | Bilwes, A, Rees, B, Moras, D. | | Deposit date: | 1993-11-24 | | Release date: | 1994-04-30 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | X-ray structure at 1.55 A of toxin gamma, a cardiotoxin from Naja nigricollis venom. Crystal packing reveals a model for insertion into membranes.
J.Mol.Biol., 239, 1994
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1TLL
 | | CRYSTAL STRUCTURE OF RAT NEURONAL NITRIC-OXIDE SYNTHASE REDUCTASE MODULE AT 2.3 A RESOLUTION. | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Garcin, E.D, Bruns, C.M, Lloyd, S.J, Hosfield, D.J, Tiso, M, Gachhui, R, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2004-06-09 | | Release date: | 2004-08-31 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for isozyme-specific regulation of electron transfer in nitric-oxide synthase
J.Biol.Chem., 279, 2004
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1SSV
 | | Compensating bends in a 16 base-pair DNA oligomer containing a T3A3 segment | | Descriptor: | 5'-D(*CP*GP*AP*GP*GP*TP*TP*TP*AP*AP*AP*CP*CP*TP*CP*G)-3' | | Authors: | McAteer, K, Aceves-Gaona, A, Michalczyk, R, Buchko, G.W, Isern, N.G, Silks, L.A, Miller, J.H, Kennedy, M.A. | | Deposit date: | 2004-03-24 | | Release date: | 2004-12-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Compensating bends in a 16-base-pair DNA oligomer containing a T(3)A(3) segment: A NMR study of global DNA curvature
Biopolymers, 75, 2004
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1SVC
 | | NFKB P50 HOMODIMER BOUND TO DNA | | Descriptor: | DNA (5'-D(*AP*GP*AP*TP*GP*GP*GP*GP*AP*AP*TP*CP*CP*CP*CP*TP*A P*GP*A)-3'), PROTEIN (NUCLEAR FACTOR KAPPA-B (NF-KB)) | | Authors: | Mueller, C.W, Harrison, S.C. | | Deposit date: | 1995-11-27 | | Release date: | 1996-06-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the NF-kappa B p50 homodimer bound to DNA.
Nature, 373, 1995
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4QKJ
 | | Glycosylated form of human LLT1, a ligand for NKR-P1, in this structure forming hexamers | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 2 member D | | Authors: | Skalova, T, Blaha, J, Duskova, J, Koval, T, Stransky, J, Hasek, J, Vanek, O, Dohnalek, J. | | Deposit date: | 2014-06-06 | | Release date: | 2015-03-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Four crystal structures of human LLT1, a ligand of human NKR-P1, in varied glycosylation and oligomerization states
Acta Crystallogr.,Sect.D, 71, 2015
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4QM6
 | | Structure of bacterial polynucleotide kinase bound to GTP and RNA | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Metallophosphoesterase, ... | | Authors: | Das, U, Wang, L.K, Smith, P, Shuman, S. | | Deposit date: | 2014-06-15 | | Release date: | 2014-10-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structures of bacterial polynucleotide kinase in a michaelis complex with nucleoside triphosphate (NTP)-Mg2+ and 5'-OH RNA and a mixed substrate-product complex with NTP-Mg2+ and a 5'-phosphorylated oligonucleotide.
J.Bacteriol., 196, 2014
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4QMO
 | | MST3 IN COMPLEX WITH Imidazolo-oxindole PKR inhibitor C16 | | Descriptor: | (8Z)-8-(1H-imidazol-5-ylmethylidene)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2014-06-16 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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4QNQ
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4QMV
 | | MST3 IN COMPLEX WITH PF-03814735, N-{2-[(1S,4R)-6-{[4-(CYCLOBUTYLAMINO)-5-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]AMINO}-1,2,3,4-TETRAHYDRO-1,4-EPIMINONAPHTHALEN-9-YL]-2-OXOETHYL}ACETAMIDE | | Descriptor: | 1,2-ETHANEDIOL, N-{2-[(1S,4R)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide, SERINE/THREONINE-PROTEIN KINASE 24 | | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2014-06-16 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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4QKD
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1T1K
 | | NMR STRUCTURE OF HUMAN INSULIN MUTANT HIS-B10-ASP, VAL-B12-ALA, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES | | Descriptor: | Insulin | | Authors: | Huang, K, Xu, B, Hu, S.Q, Chu, Y.C, Hua, Q.X, Whittaker, J, Nakagawa, S.H, De Meyts, P, Katsoyannis, P.G, Weiss, M.A. | | Deposit date: | 2004-04-16 | | Release date: | 2004-08-10 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta-Helix of the Insulin Receptor.
J.Mol.Biol., 341, 2004
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4QL1
 | | Crystal structure of human WDR5 in complex with compound OICR-9429 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ... | | Authors: | Dong, A, Dombrovski, L, Walker, J.R, Getlik, M, Kuznetsova, E, Smil, D, Barsyte, D, Li, F, Poda, G, Senisterra, G, Marcellus, R, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-06-10 | | Release date: | 2014-12-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Pharmacological targeting of the Wdr5-MLL interaction in C/EBP alpha N-terminal leukemia.
Nat.Chem.Biol., 11, 2015
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1T36
 | | Crystal structure of E. coli carbamoyl phosphate synthetase small subunit mutant C248D complexed with uridine 5'-monophosphate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Carbamoyl-phosphate synthase large chain, ... | | Authors: | Thoden, J.B, Huang, X, Raushel, F.M, Holden, H.M. | | Deposit date: | 2004-04-24 | | Release date: | 2004-09-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Long-range allosteric transitions in carbamoyl phosphate synthetase.
Protein Sci., 13, 2004
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