PDB: 36840 resultsInfo pagesStatus searchChemie searchBIRD

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6MPK	Crystal Structure of the 13-cis Retinal-Bound R111K:Y134F:T54V:R132Q:P39Y:R59Y:L121E:A32Y Mutant of Human Cellular Retinoic Acid Binding Protein II in the Dark at 1.58 Angstrom Resolution Descriptor: Cellular retinoic acid-binding protein 2, GLYCEROL, RETINAL Authors: Ghanbarpour, A, Geiger, J. Deposit date: 2018-10-07 Release date: 2019-01-09 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Mimicking Microbial Rhodopsin Isomerization in a Single Crystal. J. Am. Chem. Soc., 141, 2019
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
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
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
4QGD	Crystal Structure of the Complex of Phospholipase A2 with Gramine derivative at 1.80 A Resolution Descriptor: 3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL, Phospholipase A2 VRV-PL-VIIIa Authors: Shukla, P.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. Deposit date: 2014-05-22 Release date: 2014-06-18 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structures and binding studies of the complexes of phospholipase A2 with five inhibitors Biochim.Biophys.Acta, 1854, 2015
4QFJ	The crystal structure of rat angiogenin-heparin complex Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ACETIC ACID, Angiogenin, ... Authors: Yeo, K.J, Hwang, E, Min, K.M, Hwang, K.Y, Jeon, Y.H, Chang, S.I, Cheong, H.K. Deposit date: 2014-05-21 Release date: 2014-08-27 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.196 Å) Cite: The crystal structure of rat angiogenin-heparin complex To be Published
4QGZ	X-ray structure of the adduct formed between hen egg white lysozyme and trans-dimethylamine methylamine dichlorido platinum(II) Descriptor: Lysozyme C, bis(chloranyl)-(dimethylamino)-(methylamino)platinum Authors: Russo Krauss, I, Merlino, A. Deposit date: 2014-05-26 Release date: 2014-07-30 Last modified: 2014-08-20 Method: X-RAY DIFFRACTION (2.51 Å) Cite: Interactions between Anticancer trans-Platinum Compounds and Proteins: Crystal Structures and ESI-MS Spectra of Two Protein Adducts of trans-(Dimethylamino)(methylamino)dichloridoplatinum(II). Inorg.Chem., 53, 2014
4QIQ	Crystal structure of D-xylose-proton symporter Descriptor: D-xylose-proton symporter, ZINC ION Authors: Wisedchaisri, G, Park, M, Iadanza, M.G, Zheng, H, Gonen, T. Deposit date: 2014-06-01 Release date: 2014-08-06 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3.51 Å) Cite: Proton-coupled sugar transport in the prototypical major facilitator superfamily protein XylE. Nat Commun, 5, 2014
6MQY	Crystal Structure of the 13-cis Product of All-trans Retinal-Bound R111K:Y134F:T54V:R132Q:P39Y:R59Y:L121E Mutant of Human Cellular Retinoic Acid Binding Protein II Irradiated with 400 nm Laser (30 seconds) at 1.9 Angstrom Descriptor: Cellular retinoic acid-binding protein 2, GLYCEROL, RETINAL Authors: Ghanbarpour, A, Geiger, J. Deposit date: 2018-10-11 Release date: 2019-01-09 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Mimicking Microbial Rhodopsin Isomerization in a Single Crystal. J. Am. Chem. Soc., 141, 2019
4QL3	Crystal Structure of a GDP-bound G12R Oncogenic Mutant of Human GTPase KRas Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION Authors: Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D. Deposit date: 2014-06-10 Release date: 2015-06-10 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.041 Å) Cite: Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations. Mol Cancer Res., 13, 2015
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
6MTA	KRAS P34R mutant structure in complex with GTP analogue Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Authors: Bera, A.K, Westover, K.D. Deposit date: 2018-10-19 Release date: 2020-04-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.15 Å) Cite: GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R. Birth Defects Res, 112, 2020
4QP6	Crystal Structure of ERK2 in complex with 5H-pyrrolo[2,3-b]pyrazine Descriptor: 5H-pyrrolo[2,3-b]pyrazine, IMIDAZOLE, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2015-12-16 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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
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
6MYG	Mouse Gamma S Crystallin L16 Octamer Descriptor: Gamma-crystallin S Authors: Sagar, V, Wistow, G.J. Deposit date: 2018-11-01 Release date: 2018-11-14 Method: X-RAY DIFFRACTION (2.919 Å) Cite: Disulfides, domain swaps and disorder in a gamma-crystallin: A model for mechanisms of aggregation in globular proteins. To Be Published
4QMC	Crystal structure of complex formed between phospholipase A2 and Biotin-sulfoxide at 1.09 A Resolution Descriptor: ACETATE ION, BIOTIN-D-SULFOXIDE, GLYCEROL, ... Authors: Shukla, P.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. Deposit date: 2014-06-16 Release date: 2014-07-30 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.09 Å) Cite: Crystal structure of complex formed between phospholipase A2 and Biotin-sulfoxide at 1.09 A Resolution To be published
4QP8	Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine Descriptor: 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.446 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
6MOV	Crystal Structure of the All-trans Retinal bound R111K:Y134F:T54V:R132Q:P39Y:R59Y:L121Q Human Cellular Retinoic Acid Binding Protein II in the Dark at 1.75 Angstrom Resolution Descriptor: Cellular retinoic acid-binding protein 2, RETINAL Authors: Ghanbarpour, A, Geiger, J. Deposit date: 2018-10-04 Release date: 2019-01-09 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.752 Å) Cite: Mimicking Microbial Rhodopsin Isomerization in a Single Crystal. J. Am. Chem. Soc., 141, 2019
4QJ9	Crystal structure of inactive HIV-1 protease in complex with p1-p6 substrate variant (R452S) Descriptor: GLYCEROL, PHOSPHATE ION, Protease, ... Authors: Lin, K.H, Schiffer, C.A. Deposit date: 2014-06-03 Release date: 2014-10-29 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Structural basis and distal effects of Gag substrate coevolution in drug resistance to HIV-1 protease. Proc.Natl.Acad.Sci.USA, 111, 2014
4QMQ	MST3 in complex with CP-673451 Descriptor: 1,2-ETHANEDIOL, 1-{2-[5-(2-methoxyethoxy)-1H-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine, DI(HYDROXYETHYL)ETHER, ... 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 (1.769 Å) Cite: Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
4QMY	MST3 IN COMPLEX WITH STAUROSPORINE Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, 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 (1.883 Å) Cite: Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
6MQF	Myotoxin II from Bothrops moojeni complexed with Acetylsalicylic acid Descriptor: 2-(ACETYLOXY)BENZOIC ACID, Basic phospholipase A2 homolog 2, DIMETHYL SULFOXIDE Authors: Salvador, G.H.M, Fontes, M.R.M. Deposit date: 2018-10-09 Release date: 2019-03-20 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.693 Å) Cite: Search for efficient inhibitors of myotoxic activity induced by ophidian phospholipase A2-like proteins using functional, structural and bioinformatics approaches. Sci Rep, 9, 2019
4QN6	Crystal structure of Neuraminidase N6 complexed with Laninamivir Descriptor: 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, Neuraminidase, ... 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 (1.945 Å) Cite: Structure of influenza virus N7: the last piece of the neuraminidase "jigsaw" puzzle. J.Virol., 88, 2014
4QML	MST3 in complex with AMP-PNP Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... 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 (1.882 Å) Cite: Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016

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