PDB: 222415 resultsInfo pagesStatus searchChemie searchBIRD

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4OCX	Fab complex with methotrexate Descriptor: Fab ADD056 Heavy Chain, Fab ADD056 Light Chain, N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID Authors: Longenecker, K.L, Judge, R.A, Gayda, S, Manoj, S, Saldana, S, Ruan, Q, Swift, K, Tetin, S. Deposit date: 2014-01-09 Release date: 2014-07-02 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (2.39 Å) Cite: Water channel in the binding site of a high affinity anti-methotrexate antibody. Biochemistry, 53, 2014
4RQN	Crystal structure of the native BICC1 SAM Domain R924E mutant Descriptor: Protein bicaudal C homolog 1, ZINC ION Authors: Leettola, C.N, Cascio, D, Bowie, J.U. Deposit date: 2014-11-03 Release date: 2016-01-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structure of Bicc1 SAM Polymer and Mapping of Interactions between the Ciliopathy-Associated Proteins Bicc1, ANKS3, and ANKS6. Structure, 26, 2018
4EJ8	Apo HIV Protease (PR) dimer in closed form with fragment 1F1 in the outside/top of flap Descriptor: 1,2-ETHANEDIOL, 1H-indole-6-carboxylic acid, DIMETHYL SULFOXIDE, ... Authors: Tiefenbrunn, T, Stout, C.D. Deposit date: 2012-04-06 Release date: 2013-05-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.347 Å) Cite: Small molecule regulation of protein conformation by binding in the Flap of HIV protease. Acs Chem.Biol., 8, 2013
4RTV	Crystal structure of the Src tyrosine kinase SH3 domain S94A/Q128R mutant in complex with the high affinity synthetic peptide APP12 Descriptor: APP12 peptide, Proto-oncogene tyrosine-protein kinase Src Authors: Camara-Artigas, A, Bacarizo, J. Deposit date: 2014-11-16 Release date: 2015-10-28 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.37 Å) Cite: Crystal structure of the Src tyrosine kinase SH3 domain S94A/Q128R mutant in complex with the high affinity synthetic peptide APP12 To be Published
4EX1	Human Insulin Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ... Authors: Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R. Deposit date: 2012-04-29 Release date: 2013-05-01 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (1.657 Å) Cite: Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
4EY9	Human Insulin Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ... Authors: Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R. Deposit date: 2012-05-01 Release date: 2013-05-01 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (1.471 Å) Cite: Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
4EYD	Human Insulin Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ... Authors: Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R. Deposit date: 2012-05-01 Release date: 2013-05-01 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (1.471 Å) Cite: Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
4RZ7	Crystal Structure of PVX_084705 with bound PCI32765 Descriptor: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, UNKNOWN ATOM OR ION, cGMP-dependent protein kinase, ... Authors: Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Amani, M, Structural Genomics Consortium (SGC) Deposit date: 2014-12-18 Release date: 2015-01-14 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.351 Å) Cite: Crystal Structure of PVX_084705 with bound PCI32765 To be Published
4ENX	Crystal Structure of Pim-1 Kinase in complex with inhibitor (2E,5Z)-2-(2-chlorophenylimino)-5-(4-hydroxy-3-nitrobenzylidene)thiazolidin-4-one Descriptor: (2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 Authors: Parker, L.J, Handa, N, Yokoyama, S. Deposit date: 2012-04-13 Release date: 2012-08-08 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor Acta Crystallogr.,Sect.F, 68, 2012
4EJE	Structure Of The Tsg101 UEV Domain In Complex With an Ebola PTAP late Domain Peptide Descriptor: Matrix protein VP40, SULFATE ION, Tumor susceptibility gene 101 protein Authors: Camara-Artigas, A. Deposit date: 2012-04-06 Release date: 2013-04-10 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: To be published To be Published
4EK1	Crystal Structure of Electron-Spin Labeled Cytochrome P450cam Descriptor: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... Authors: Lee, Y.-T, Goodin, D.B. Deposit date: 2012-04-08 Release date: 2012-07-25 Last modified: 2012-08-29 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Double electron-electron resonance shows cytochrome P450cam undergoes a conformational change in solution upon binding substrate. Proc.Natl.Acad.Sci.USA, 109, 2012
4RSQ	2.9A resolution structure of SRPN2 (K198C/E359C) from Anopheles gambiae Descriptor: Serpin 2 Authors: Lovell, S, Battaile, K.P, Zhang, X, Meekins, D.A, An, C, Michel, K. Deposit date: 2014-11-10 Release date: 2014-12-24 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Structural and Inhibitory Effects of Hinge Loop Mutagenesis in Serpin-2 from the Malaria Vector Anopheles gambiae. J.Biol.Chem., 290, 2015
4NFF	Human kallikrein-related peptidase 2 in complex with PPACK Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Kallikrein-2 Authors: Skala, W, Brandstetter, H, Magdolen, V, Goettig, P. Deposit date: 2013-10-31 Release date: 2014-10-29 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure-function analyses of human kallikrein-related peptidase 2 establish the 99-loop as master regulator of activity J.Biol.Chem., 289, 2014
4PRN	Crystal structure of a HLA-B*35:01-HPVG-A4 Descriptor: ACETATE ION, Beta-2-microglobulin, Epstein-Barr nuclear antigen 1, ... Authors: Yu Chih, L, Rossjohn, J, Gras, S. Deposit date: 2014-03-06 Release date: 2014-04-16 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.65 Å) Cite: A Molecular Basis for the Interplay between T Cells, Viral Mutants, and Human Leukocyte Antigen Micropolymorphism. J.Biol.Chem., 289, 2014
3WIG	Human MEK1 kinase in complex with CH5126766 and MgAMP-PNP Descriptor: CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... Authors: Lukacs, C.M, Janson, C, Schuck, V. Deposit date: 2013-09-12 Release date: 2014-06-04 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Disruption of CRAF-Mediated MEK Activation Is Required for Effective MEK Inhibition in KRAS Mutant Tumors Cancer Cell, 25, 2014
4NKP	Crystal structure of a putative extracellular heme-binding protein (DESPIG_02683) from Desulfovibrio piger ATCC 29098 at 1.24 A resolution Descriptor: GLYCEROL, SULFATE ION, putative extracellular heme-binding protein Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2013-11-12 Release date: 2013-12-11 Last modified: 2023-02-01 Method: X-RAY DIFFRACTION (1.24 Å) Cite: Crystal structure of a hypothetical protein (DESPIG_02683) from Desulfovibrio piger ATCC 29098 at 1.24 A resolution To be published
4PNY	Crystal structure of Staphylococcal nuclease variant Delta+PHS I72H at cryogenic temperature Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease Authors: Sorenson, J.L, Schlessman, J.L, Garcia-Moreno E, B. Deposit date: 2014-02-22 Release date: 2014-03-12 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Crystal structure of Staphylococcal nuclease variant Delta+PHS I72H at cryogenic temperature To be Published
3WBB	Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum Descriptor: Diaminopimelate dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M. Deposit date: 2013-05-14 Release date: 2014-03-26 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum. Chembiochem, 15, 2014
3WXP	Structure of hyperthermophilic family 12 endocellulase (E197A) from Pyrococcus furiosus in complex with cellobiose Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Endoglucanase A, ... Authors: Kataoka, M, Ishikawa, K. Deposit date: 2014-08-04 Release date: 2015-11-18 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Structure of hyperthermophilic family 12 endocellulase mutant (E197A) from Pyrococcus furiosus in complex with cellobiose To be Published
4PPY	Crystal structure of a putative acylhydrolase (BF3764) from Bacteroides fragilis NCTC 9343 at 2.00 A resolution Descriptor: Putative acylhydrolase Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2014-02-27 Release date: 2014-04-02 Last modified: 2023-02-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of a putative acylhydrolase (BF3764) from Bacteroides fragilis NCTC 9343 at 2.00 A resolution To be published
3WT3	New crystal form of a hyperthermophilic endocellulase Descriptor: CALCIUM ION, Endoglucanase A, GLYCEROL Authors: Kataoka, M, Ishikawa, K. Deposit date: 2014-04-07 Release date: 2015-04-29 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.68 Å) Cite: A new crystal form of a hyperthermophilic endocellulase To be Published
4PRD	Crystal structure of a HLA-B*35:08-HPVG-D5 Descriptor: ACETATE ION, Beta-2-microglobulin, Epstein-Barr nuclear antigen 1, ... Authors: Yu Chih, L, Rossjohn, J, Gras, S. Deposit date: 2014-03-05 Release date: 2014-04-16 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.75 Å) Cite: A Molecular Basis for the Interplay between T Cells, Viral Mutants, and Human Leukocyte Antigen Micropolymorphism. J.Biol.Chem., 289, 2014
4PRX	E. coli GyrB 43-kDa N-terminal fragment in complex with ADP+Pi Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, GyrB, ... Authors: Stanger, F.V, Schirmer, T. Deposit date: 2014-03-06 Release date: 2014-09-24 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure of the N-Terminal Gyrase B Fragment in Complex with ADPPi Reveals Rigid-Body Motion Induced by ATP Hydrolysis Plos One, 9, 2014
4PSG	Crystal Structure of C.elegans Thymidylate Synthase in complex with an inhibitor N(4)OHdCMP Descriptor: 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), Thymidylate synthase Authors: Wilk, P, Jarmula, A, Rode, W. Deposit date: 2014-03-07 Release date: 2015-02-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Crystal Structure of C.elegans Thymidylate Synthase in complex with an inhibitor N(4)OHdCMP To be Published
3WHA	Hsp90 alpha N-terminal domain in complex with a tricyclic inhibitor Descriptor: 4-{[4-amino-6-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide, GLYCEROL, Heat shock protein HSP 90-alpha, ... Authors: Fukami, T.A, Ono, N. Deposit date: 2013-08-23 Release date: 2014-01-29 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Design and synthesis of 2-amino-6-(1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazines as novel Hsp90 inhibitors Bioorg.Med.Chem., 22, 2014

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