1YGC
 
 | | Short Factor VIIa with a small molecule inhibitor | | Descriptor: | (R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE, CALCIUM ION, Coagulation factor VII, ... | | Authors: | Olivero, A.G, Eigenbrot, C, Goldsmith, R, Robarge, K, Artis, D.R, Flygare, J, Rawson, T, Refino, C, Bunting, S, Kirchhofer, D. | | Deposit date: | 2005-01-04 | | Release date: | 2005-01-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A selective, slow binding inhibitor of factor VIIa binds to a nonstandard active site conformation and attenuates thrombus formation in vivo.
J.Biol.Chem., 280, 2005
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5OR2
 | | Crystal structures of PYR1/HAB1 in complex with synthetic analogues of Abscisic Acid | | Descriptor: | (2~{Z},4~{E})-3-cyclopropyl-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienoic acid, Abscisic acid receptor PYR1, MANGANESE (II) ION, ... | | Authors: | Freigang, J. | | Deposit date: | 2017-08-15 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insights into the in Vitro and in Vivo SAR of Abscisic Acid - Exploring Unprecedented Variations of the Side Chain via Cross-Coupling-Mediated Syntheses
Eur.J.Org.Chem., 2018
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6MOX
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1YHS
 | | Crystal structure of Pim-1 bound to staurosporine | | Descriptor: | Proto-oncogene serine/threonine-protein kinase Pim-1, STAUROSPORINE | | Authors: | Jacobs, M.D, Black, J, Futer, O, Swenson, L, Hare, B, Fleming, M, Saxena, K. | | Deposit date: | 2005-01-10 | | Release date: | 2005-01-25 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002.
J.Biol.Chem., 280, 2005
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1DHI
 | | LONG-RANGE STRUCTURAL EFFECTS IN A SECOND-SITE REVERTANT OF A MUTANT DIHYDROFOLATE REDUCTASE | | Descriptor: | CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ... | | Authors: | Oatley, S.J, Villafranca, J.E, Brown, K.A, Kraut, J. | | Deposit date: | 1993-10-29 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Long-range structural effects in a second-site revertant of a mutant dihydrofolate reductase.
Proc.Natl.Acad.Sci.USA, 90, 1993
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8ES5
 | | Aha1 domain protein from Pseudomonas aeruginosa | | Descriptor: | Activator of HSP90 ATPase | | Authors: | Colautti, J, Whitney, J.C. | | Deposit date: | 2022-10-13 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Lack of evidence that Pseudomonas aeruginosa AmpDh3-PA0808 constitute a type VI secretion system effector-immunity pair.
Mol.Microbiol., 119, 2023
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4G63
 | | Crystal structure of cytosolic IMP-GMP specific 5'-nucleotidase (lpg0095) in complex with phosphate ions from Legionella pneumophila, Northeast Structural Genomics Consortium Target LgR1 | | Descriptor: | Cytosolic IMP-GMP specific 5'-nucleotidase, PHOSPHATE ION | | Authors: | Forouhar, F, Abashidze, M, Seetharaman, J, Ho, C.K, Ciccosanti, C, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-07-18 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Allosteric regulation and substrate activation in cytosolic nucleotidase II from Legionella pneumophila.
Febs J., 281, 2014
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1ZS3
 | | The crystal structure of the Lactococcus lactis MG1363 DpsB protein | | Descriptor: | Lactococcus lactis MG1363 DpsA | | Authors: | Stillman, T.J, Upadhyay, M, Norte, V.A, Sedelnikova, S.E, Carradus, M, Tzokov, S, Bullough, P.A, Shearman, C.A, Gasson, M.J, Williams, C.H, Artymiuk, P.J, Green, J. | | Deposit date: | 2005-05-23 | | Release date: | 2005-08-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The crystal structures of Lactococcus lactis MG1363 Dps proteins reveal the presence of an N-terminal helix that is required for DNA binding.
Mol.Microbiol., 57, 2005
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1DCC
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3UKD
 | | UMP/CMP KINASE FROM SLIME MOLD COMPLEXED WITH ADP, CMP, AND ALF3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CYTIDINE-5'-MONOPHOSPHATE, ... | | Authors: | Schlichting, I, Reinstein, J. | | Deposit date: | 1997-05-20 | | Release date: | 1998-05-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of active conformations of UMP kinase from Dictyostelium discoideum suggest phosphoryl transfer is associative.
Biochemistry, 36, 1997
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1ASY
 | | CLASS II AMINOACYL TRANSFER RNA SYNTHETASES: CRYSTAL STRUCTURE OF YEAST ASPARTYL-TRNA SYNTHETASE COMPLEXED WITH TRNA ASP | | Descriptor: | ASPARTYL-tRNA SYNTHETASE, T-RNA (75-MER) | | Authors: | Ruff, M, Cavarelli, J, Rees, B, Krishnaswamy, S, Thierry, J.C, Moras, D. | | Deposit date: | 1995-01-19 | | Release date: | 1995-05-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Class II aminoacyl transfer RNA synthetases: crystal structure of yeast aspartyl-tRNA synthetase complexed with tRNA(Asp).
Science, 252, 1991
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1LUD
 | | SOLUTION STRUCTURE OF DIHYDROFOLATE REDUCTASE COMPLEXED WITH TRIMETHOPRIM AND NADPH, 24 STRUCTURES | | Descriptor: | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZYL)-PYRIMIDIN-1-IUM, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Polshakov, V.I, Smirnov, E.G, Birdsall, B, Kelly, G, Feeney, J. | | Deposit date: | 2002-05-22 | | Release date: | 2002-12-18 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | NMR-based solution structure of the complex of Lactobacillus casei dihydrofolate reductase with trimethoprim and NADPH
J.Biomol.Nmr, 24, 2002
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1LJR
 | | GLUTATHIONE TRANSFERASE (HGST T2-2) FROM HUMAN | | Descriptor: | GLUTATHIONE, GLUTATHIONE S-TRANSFERASE | | Authors: | Rossjohn, J, Mckinstry, W.J, Oakley, A.J, Verger, D, Flanagan, J, Chelvanayagam, G, Tan, K.L, Board, P.G, Parker, M.W. | | Deposit date: | 1998-03-08 | | Release date: | 1999-03-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Human theta class glutathione transferase: the crystal structure reveals a sulfate-binding pocket within a buried active site.
Structure, 6, 1998
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1LJO
 | | CRYSTAL STRUCTURE OF AN SM-LIKE PROTEIN (AF-SM2) FROM ARCHAEOGLOBUS FULGIDUS AT 1.95A RESOLUTION | | Descriptor: | ACETIC ACID, Archaeal Sm-like protein AF-Sm2, CADMIUM ION | | Authors: | Toro, I, Basquin, J, Teo-Dreher, H, Suck, D. | | Deposit date: | 2002-04-22 | | Release date: | 2002-07-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Archaeal Sm proteins form heptameric and hexameric complexes: crystal structures of the Sm1 and Sm2 proteins from the hyperthermophile Archaeoglobus fulgidus.
J.Mol.Biol., 320, 2002
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1ZV5
 | | Crystal structure of the variable domain of the camelid heavy-chain antibody D2-L29 in complex with hen egg white lysozyme | | Descriptor: | Lysozyme C, PHOSPHATE ION, immunoglobulin heavy chain antibody variable domain | | Authors: | De Genst, E, Silence, K, Decanniere, K, Conrath, K, Loris, R, Kinne, J, Muyldermans, S, Wyns, L. | | Deposit date: | 2005-06-01 | | Release date: | 2006-04-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular basis for the preferential cleft recognition by dromedary heavy-chain antibodies.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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4GH6
 | | Crystal structure of the PDE9A catalytic domain in complex with inhibitor 28 | | Descriptor: | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, N-(4-methoxyphenyl)-N~2~-[1-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-L-alaninamide, ... | | Authors: | Hou, J, Ke, H. | | Deposit date: | 2012-08-07 | | Release date: | 2012-10-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-Based Discovery of Highly Selective Phosphodiesterase-9A Inhibitors and Implications for Inhibitor Design.
J.Med.Chem., 55, 2012
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4GHO
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5FXS
 | | IGFR-1R complex with a pyrimidine inhibitor. | | Descriptor: | 2-[4-[4-[[(6Z)-5-chloranyl-6-pyrazolo[1,5-a]pyridin-3-ylidene-1H-pyrimidin-2-yl]amino]-3,5-dimethyl-pyrazol-1-yl]piperidin-1-yl]-N,N-dimethyl-ethanamide, ACETATE ION, INSULIN-LIKE GROWTH FACTOR 1 RECEPTOR | | Authors: | Degorce, S, Boyd, S, Curwen, J, Ducray, R, Halsall, C, Jones, C, Lach, F, Lenz, E, Pass, M, Pass, S, Trigwell, C, Norman, R, Phillips, C. | | Deposit date: | 2016-03-02 | | Release date: | 2016-10-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of a Potent, Selective, Orally Bioavailable, and Efficacious Novel 2-(Pyrazol-4-ylamino)-pyrimidine Inhibitor of the Insulin-like Growth Factor-1 Receptor (IGF-1R).
J. Med. Chem., 59, 2016
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1AVH
 | | CRYSTAL AND MOLECULAR STRUCTURE OF HUMAN ANNEXIN V AFTER REFINEMENT. IMPLICATIONS FOR STRUCTURE, MEMBRANE BINDING AND ION CHANNEL FORMATION OF THE ANNEXIN FAMILY OF PROTEINS | | Descriptor: | ANNEXIN V, CALCIUM ION, SULFATE ION | | Authors: | Huber, R, Berendes, R, Burger, A, Schneider, M, Karshikov, A, Luecke, H, Roemisch, J, Paques, E. | | Deposit date: | 1991-10-17 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal and molecular structure of human annexin V after refinement. Implications for structure, membrane binding and ion channel formation of the annexin family of proteins.
J.Mol.Biol., 223, 1992
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1KOB
 | | TWITCHIN KINASE FRAGMENT (APLYSIA), AUTOREGULATED PROTEIN KINASE DOMAIN | | Descriptor: | TWITCHIN, VALINE | | Authors: | Kobe, B, Heierhorst, J, Feil, S.C, Parker, M.W, Benian, G.M, Weiss, K.R, Kemp, B.E. | | Deposit date: | 1996-06-28 | | Release date: | 1997-03-12 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Giant protein kinases: domain interactions and structural basis of autoregulation.
EMBO J., 15, 1996
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7XOF
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4IDT
 | | Crystal Structure of NIK with 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine (T28) | | Descriptor: | 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine, Mitogen-activated protein kinase kinase kinase 14 | | Authors: | Liu, J, Sudom, A, Wang, Z. | | Deposit date: | 2012-12-13 | | Release date: | 2013-04-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Inhibiting NF-KB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure activity relationship, and co-crystal structures
Bioorg.Med.Chem.Lett., 23, 2013
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6O14
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5ZNX
 | | Crystal structure of CM14-treated HlyU from Vibrio vulnificus | | Descriptor: | Transcriptional activator | | Authors: | Park, N, Kim, S, Jo, I, Ahn, J, Hong, S, Jeong, S, Baek, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.114 Å) | | Cite: | Small-molecule inhibitor of HlyU attenuates virulence of Vibrio species.
Sci Rep, 9, 2019
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1XAX
 | | NMR structure of HI0004, a putative essential gene product from Haemophilus influenzae | | Descriptor: | Hypothetical UPF0054 protein HI0004 | | Authors: | Yeh, D.C, Parsons, J.F, Parsons, L.M, Liu, F, Eisenstein, E, Orban, J, Structure 2 Function Project (S2F) | | Deposit date: | 2004-08-26 | | Release date: | 2005-01-18 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure of HI0004, a putative essential gene product from Haemophilus influenzae, and comparison with the X-ray structure of an Aquifex aeolicus homolog
Protein Sci., 14, 2005
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