Author results

1M8O
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PLATELET INTEGRIN ALFAIIB-BETA3 CYTOPLASMIC DOMAIN
Descriptor:platelet integrin alfaIIb subunit: cytoplasmic domain, platelet integrin beta3 subunit: cytoplasmic domain
Authors:Vinogradova, O., Velyvis, A., Velyviene, A., Hu, B., Haas, T., Plow, E.F., Qin, J.
Deposit date:2002-07-25
Release date:2002-09-18
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:A Structural mechanism of integrin alfaiib beta3 "Inside-out" Activation as regulated by its cytoplasmic face.
Cell(Cambridge,Mass.), 110, 2002
1HK7
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MIDDLE DOMAIN OF HSP90
Descriptor:HEAT SHOCK PROTEIN HSP82, CADMIUM ION, MAGNESIUM ION
Authors:Meyer, P., Prodromou, C., Roe, S.M., Pearl, L.H.
Deposit date:2003-03-06
Release date:2004-01-29
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Functional Analysis of the Middle Segment of Hsp90. Implications for ATP Hydrolysis and Client Protein and Cochaperone Interactions
Mol.Cell, 11, 2003
1USU
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THE STRUCTURE OF THE COMPLEX BETWEEN AHA1 AND HSP90
Descriptor:HEAT SHOCK PROTEIN HSP82, AHA1, GLYCEROL
Authors:Meyer, P., Roe, S.M., Pearl, L.H.
Deposit date:2003-12-01
Release date:2004-01-29
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Basis for Recruitment of the ATPase Activator Aha1 to the Hsp90 Chaperone Machinery.
Embo J., 23, 2004
1USV
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THE STRUCTURE OF THE COMPLEX BETWEEN AHA1 AND HSP90
Descriptor:HEAT SHOCK PROTEIN HSP82, AHA1
Authors:Meyer, P., Roe, S.M., Pearl, L.H.
Deposit date:2003-12-01
Release date:2004-01-29
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis for Recruitment of the ATPase Activator Aha1 to the Hsp90 Chaperone Machinery.
Embo J., 23, 2004
4YMJ
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(R)-2-PHENYLPYRROLIDINE SUBSTITUTE IMIDAZOPYRIDAZINES: A NEW CLASS OF POTENT AND SELECTIVE PAN-TRK INHIBITORS
Descriptor:NT-3 growth factor receptor, 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, GLYCEROL, ...
Authors:Kreusch, A., Rucker, P., Molteni, V., Loren, J.
Deposit date:2015-03-06
Release date:2015-06-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YNE
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(R)-2-PHENYLPYRROLIDINE SUBSTITUTE IMIDAZOPYRIDAZINES: A NEW CLASS OF POTENT AND SELECTIVE PAN-TRK INHIBITORS
Descriptor:High affinity nerve growth factor receptor, 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, SULFATE ION, ...
Authors:Kreusch, A., Rucker, P., Molteni, V., Loren, J.
Deposit date:2015-03-09
Release date:2015-06-03
Method:X-RAY DIFFRACTION (2.0229 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YPS
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(R)-2-PHENYLPYRROLIDINE SUBSTITUTE IMIDAZOPYRIDAZINES: A NEW CLASS OF POTENT AND SELECTIVE PAN-TRK INHIBITORS
Descriptor:High affinity nerve growth factor receptor, 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, SULFATE ION
Authors:Kreusch, A., Rucker, P., Molteni, V., Loren, J.
Deposit date:2015-03-13
Release date:2015-06-03
Method:X-RAY DIFFRACTION (2.1012 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
6B36
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CRYSTAL STRUCTURE OF HIV PROTEASE COMPLEXED WITH (S)-N-(3-FLUORO-2-(2-(1-(PHENYLSULFONYL)PIPERAZIN-2-YL)ETHYL)PHENYL)-3,3-BIS(4-FLUOROPHENYL)PROPANAMIDE
Descriptor:HIV-1 Protease, CHLORIDE ION, (S)-N-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6B38
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CRYSTAL STRUCTURE OF HIV PROTEASE COMPLEXED WITH N-(3-FLUORO-2-(2-((2S,6R)-6-METHYL-1-(PHENYLSULFONYL)PIPERAZIN-2-YL)ETHYL)PHENYL)-3,3-BIS(4-FLUOROPHENYL)PROPANAMIDE
Descriptor:HIV-1 Protease, CHLORIDE ION, N-(3-fluoro-2-{2-[(2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6B3C
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CRYSTAL STRUCTURE OF HIV PROTEASE COMPLEXED WITH N-(3-FLUORO-2-(2-((2S,6R)-6-METHYL-1-(PHENYLSULFONYL)PIPERAZIN-2-YL)ETHYL)PHENYL)-3,3-BIS(4-FLUOROPHENYL)PROPANAMIDE
Descriptor:HIV-1 Protease, CHLORIDE ION, N-(3-fluoro-2-{2-[(2S,5R)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6B3F
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CRYSTAL STRUCTURE OF HIV PROTEASE COMPLEXED WITH N-(3-FLUORO-2-(2-((2S,5S)-5-METHYL-1-(PHENYLSULFONYL)PIPERAZIN-2-YL)ETHYL)PHENYL)-3,3-BIS(4-FLUOROPHENYL)PROPANAMIDE
Descriptor:HIV-1 Protease, CHLORIDE ION, N-(3-fluoro-2-{2-[(2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6B3G
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CRYSTAL STRUCTURE OF HIV PROTEASE COMPLEXED WITH N-(3-FLUORO-2-(2-((2S,6S)-6-METHYL-1-(PHENYLSULFONYL)PIPERAZIN-2-YL)ETHYL)PHENYL)-3,3-BIS(4-FLUOROPHENYL)PROPANAMIDE
Descriptor:HIV-1 Protease, CHLORIDE ION, N-(3-fluoro-2-{2-[(2S,6S)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6B3H
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CRYSTAL STRUCTURE OF HIV PROTEASE COMPLEXED WITH N-(2-(2-((6R,9S)-2,2-DIOXIDO-2-THIA-1,7-DIAZABICYCLO[4.3.1]DECAN-9-YL)ETHYL)-3-FLUOROPHENYL)-3,3-BIS(4-FLUOROPHENYL)PROPANAMIDE
Descriptor:HIV-1 Protease, N-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide, CHLORIDE ION
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6G4Y
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CRYSTAL STRUCTURE OF MURINE NF-KAPPAB INDUCING KINASE (NIK) IN COMPLEX WITH COMPOUND 1A
Descriptor:Mitogen-activated protein kinase kinase kinase 14, SULFATE ION, 10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide
Authors:Hole, A.J., Hymowitz, S.G., McEwan, P.A.
Deposit date:2018-03-28
Release date:2018-07-04
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
6G4Z
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CRYSTAL STRUCTURE OF MURINE NF-KAPPAB INDUCING KINASE (NIK) IN COMPLEX WITH COMPOUND 2F
Descriptor:Mitogen-activated protein kinase kinase kinase 14, 5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide
Authors:Leonardo-Silvestre, H., McEwan, P.A., Hymowitz, S.G.
Deposit date:2018-03-28
Release date:2018-07-04
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
1CF9
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STRUCTURE OF THE MUTANT VAL169CYS OF CATALASE HPII FROM ESCHERICHIA COLI
Descriptor:PROTEIN (CATALASE HPII), PROTOPORPHYRIN IX CONTAINING FE
Authors:Mate, M.J., Loewen, P.C., Fita, I.
Deposit date:1999-03-24
Release date:1999-04-06
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mutants that alter the covalent structure of catalase hydroperoxidase II from Escherichia coli.
J.Biol.Chem., 274, 1999
1JK4
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DES 1-6 BOVINE NEUROPHYSIN II COMPLEX WITH VASOPRESSIN
Descriptor:NEUROPHYSIN 2, Lys Vasopressin, CADMIUM ION
Authors:Rose, J.P., Wang, B.-C.
Deposit date:2001-07-11
Release date:2003-02-04
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of an Unliganded Neurophysin and its Vasopressin Complex: Implications for Binding and Allosteric Mechanisms
Protein Sci., 10, 2001
1JK6
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UNCOMPLEXED DES 1-6 BOVINE NEUROPHYSIN
Descriptor:NEUROPHYSIN 2
Authors:Rose, J.P., Wang, B.-C.
Deposit date:2001-07-11
Release date:2003-04-29
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of an Unliganded Neurophysin and its Vasopressin Complex: Implications for Binding and Allosteric Mechanisms
Protein Sci., 10, 2003
1QF7
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STRUCTURE OF THE MUTANT HIS392GLN OF CATALASE HPII FROM E. COLI
Descriptor:PROTEIN (CATALASE HPII), PROTOPORPHYRIN IX CONTAINING FE
Authors:Mate, M.J., Loewen, P.C., Fita, I.
Deposit date:1999-03-26
Release date:1999-04-26
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mutants that alter the covalent structure of catalase hydroperoxidase II from Escherichia coli.
J.Biol.Chem., 274, 1999
4RFM
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ITK KINASE DOMAIN IN COMPLEX WITH COMPOUND 1 N-{1-[(1,1-DIOXO-1-THIAN-2-YL)(PHENYL)METHYL]-1H- PYRAZOL-4-YL}-5,5-DIFLUORO-5A-METHYL-1H,4H,4AH,5H,5AH,6H-CYCLOPROPA[F]INDAZOLE-3-CARBOXAMIDE
Descriptor:Tyrosine-protein kinase ITK/TSK, (4aS,5aR)-N-{1-[(R)-[(2R)-1,1-dioxidotetrahydro-2H-thiopyran-2-yl](phenyl)methyl]-1H-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide
Authors:McEwan, P.A., Barker, J.J., Eigenbrot, C.
Deposit date:2014-09-26
Release date:2015-04-29
Last modified:2015-08-26
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second-Generation Analogues with Enhanced Potency, Selectivity, and Pharmacodynamic Modulation in Vivo.
J.Med.Chem., 58, 2015
5GPP
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CRYSTAL STRUCTURE OF ZEBRAFISH ASC PYD DOMAIN
Descriptor:Maltose-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, MALTOSE, SULFATE ION, ...
Authors:Jin, T., Li, Y.
Deposit date:2016-08-04
Release date:2017-08-09
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional and structural characterization of zebrafish ASC.
FEBS J., 285, 2018
5GPQ
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CRYSTAL STRUCTURE OF ZEBRAFISH ASC CARD DOMAIN
Descriptor:Maltose-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, MALTOSE, CITRIC ACID
Authors:Jin, T., Li, Y.
Deposit date:2016-08-04
Release date:2017-08-09
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Functional and structural characterization of zebrafish ASC.
FEBS J., 285, 2018
5VO4
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CRYSTAL STRUCTURE OF THE ANDROGEN RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH 5-(2-FLUORO-4-HYDROXYPHENYL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE
Descriptor:Androgen receptor, 5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1H-pyrrole-2-carbonitrile
Authors:Parris, K., Unwalla, R.
Deposit date:2017-05-02
Release date:2018-03-14
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Based Approach To Identify 5-[4-Hydroxyphenyl]pyrrole-2-carbonitrile Derivatives as Potent and Tissue Selective Androgen Receptor Modulators.
J. Med. Chem., 60, 2017
6H2X
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MUKB COILED-COIL ELBOW FROM E. COLI
Descriptor:Chromosome partition protein MukB,Chromosome partition protein MukB
Authors:Buermann, F., Lowe, J.
Deposit date:2018-07-16
Release date:2019-03-06
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A folded conformation of MukBEF and cohesin.
Nat.Struct.Mol.Biol., 26, 2019
6NM5
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F-PILUS/MS2 MATURATION PROTEIN COMPLEX
Descriptor:Type IV conjugative transfer system pilin TraA, Maturation protein, (2R)-2,3-dihydroxypropyl ethyl hydrogen (S)-phosphate
Authors:Meng, R., Chang, J., Zhang, J.
Deposit date:2019-01-10
Release date:2019-07-24
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Structural basis for the adsorption of a single-stranded RNA bacteriophage.
Nat Commun, 10, 2019