Author results

4MZD
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HIGH RESOLUTION CRYSTAL STRUCTURE OF THE NISIN LEADER PEPTIDASE NISP FROM LACTOCOCCUS LACTIS
Descriptor:Nisin leader peptide-processing serine protease NisP
Authors:Rao, Z.H., Xu, Y.Y., Li, X., Yang, W.
Deposit date:2013-09-30
Release date:2014-06-11
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structure of the nisin leader peptidase NisP revealing a C-terminal autocleavage activity.
Acta Crystallogr.,Sect.D, 70, 2014
3RFE
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CRYSTAL STRUCTURE OF GLYCOPROTEIN GPIB ECTODOMAIN
Descriptor:Platelet glycoprotein Ib beta chain, N-ACETYL-D-GLUCOSAMINE, MAGNESIUM ION, ...
Authors:McEwan, P.A., Yang, W., Carr, K.H., Mo, X., Zheng, X., Li, R., Emsley, J.
Deposit date:2011-04-06
Release date:2011-12-21
Method:X-RAY DIFFRACTION (1.245 Å)
Cite:Quaternary organization of GPIb-IX complex and insights into Bernard-Soulier syndrome revealed by the structures of GPIbbeta and a GPIbbeta/GPIX chimer
Blood, 118, 2011
6AXQ
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CREBBP BROMODOMAIN IN COMPLEX WITH CPD6 (METHYL 1H-INDOLE-3-CARBOXYLATE)
Descriptor:CREB-binding protein, DIMETHYL SULFOXIDE, methyl 1H-indole-3-carboxylate
Authors:Murray, J.M., Jayaram, H.
Deposit date:2017-09-07
Release date:2018-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6I44
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ALLOSTERIC ACTIVATION OF HUMAN PREKALLIKREIN BY APPLE DOMAIN DISC ROTATION
Descriptor:Plasma kallikrein, BENZAMIDINE, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Li, C., Pathak, M., MaCrae, K., Dreveny, I., Emsley, J.
Deposit date:2018-11-09
Release date:2019-03-06
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Plasma Kallikrein Structure Reveals Apple Domain Disc Rotated Conformation Compared to Factor XI.
J. Thromb. Haemost., 2019
6AY3
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CREBBP BROMODOMAIN IN COMPLEX WITH CPD16 (5-(7-(DIFLUOROMETHYL)-6-(1-METHYL-1H-PYRAZOL-4-YL)-3,4-DIHYDROQUINOLIN-1(2H)-YL)-N-METHYL-1H-INDOLE-3-CARBOXAMIDE)
Descriptor:CREB-binding protein, 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide, 1,2-ETHANEDIOL, ...
Authors:Murray, J.M.
Deposit date:2017-09-07
Release date:2018-02-21
Method:X-RAY DIFFRACTION (1.391 Å)
Cite:A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
5YGB
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CRYSTAL STRUCTURE OF DROSOPHILA MELANOGASTER PAPI EXTENDED TUDOR DOMAIN MUTANT - D287A
Descriptor:GH18329p
Authors:Zhang, Y.H., Huang, Y.
Deposit date:2017-09-22
Release date:2018-03-14
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural insights into the sequence-specific recognition of Piwi byDrosophilaPapi
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5W0E
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CREBBP BROMODOMAIN IN COMPLEX WITH CPD19 (3-(7-(DIFLUOROMETHYL)-6-(1-METHYL-1H-PYRAZOL-4-YL)-3,4-DIHYDROQUINOLIN-1(2H)-YL)-N-METHYL-1-(TETRAHYDRO-2H-PYRAN-4-YL)-1,4,6,7-TETRAHYDRO-5H-PYRAZOLO[4,3-C]PYRIDINE-5-CARBOXAMIDE)
Descriptor:CREB-binding protein, 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
Authors:Murray, J.M.
Deposit date:2017-05-30
Release date:2018-02-21
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
5W0I
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CREBBP BROMODOMAIN IN COMPLEX WITH CPD8 (1-(3-(7-(DIFLUOROMETHYL)-6-(1-METHYL-1H-PYRAZOL-4-YL)-3,4-DIHYDROQUINOLIN-1(2H)-YL)-1-(TETRAHYDROFURAN-3-YL)-1,4,6,7-TETRAHYDRO-5H-PYRAZOLO[4,3-C]PYRIDIN-5-YL)ETHAN-1-ONE)
Descriptor:CREB-binding protein, 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, DIMETHYL SULFOXIDE, ...
Authors:Murray, J.M.
Deposit date:2017-05-30
Release date:2018-03-07
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
5YJ6
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THE EXOGLUCANASE CELS FROM CLOSTRIDIUM THERMOCELLUM
Descriptor:Dockerin type I repeat-containing protein, 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol
Authors:Liu, Y.J., Liu, S.Y., Dong, S., Li, R.M., Feng, Y.G., Cui, Q.
Deposit date:2017-10-09
Release date:2018-01-31
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Determination of the native features of the exoglucanase Cel48S from Clostridium thermocellum
Biotechnol Biofuels, 11, 2018
6AY5
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CREBBP BROMODOMAIN IN COMPLEX WITH CPD17 (5-(7-(DIFLUOROMETHYL)-6-(1-METHYL-1H-PYRAZOL-4-YL)-3,4-DIHYDROQUINOLIN-1(2H)-YL)-3-METHYLBENZO[D]THIAZOL-2(3H)-ONE)
Descriptor:CREB-binding protein, 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one, SULFATE ION, ...
Authors:Murray, J.M.
Deposit date:2017-09-07
Release date:2018-02-21
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
4RAX
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A REGULATORY DOMAIN OF AN ION CHANNEL
Descriptor:Piezo-type mechanosensitive ion channel component 1
Authors:Ge, J., Yang, M.
Deposit date:2014-09-11
Release date:2015-09-23
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Architecture of the mammalian mechanosensitive Piezo1 channel.
Nature, 527, 2015
4IS5
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CRYSTAL STRUCTURE OF THE LIGAND-FREE INACTIVE MATRIPTASE
Descriptor:Suppressor of tumorigenicity 14 protein, SULFATE ION, GLYCEROL, ...
Authors:Huang, M.D., Zhao, B.Y., Yuan, C., Li, R.
Deposit date:2013-01-16
Release date:2013-03-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structures of matriptase in complex with its inhibitor hepatocyte growth factor activator inhibitor-1.
J.Biol.Chem., 288, 2013
5YOF
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CRYSTAL STRUCTURE OF ZIKA VIRUS NS3 PROTEASE IN COMPLEX WITH A DIPEPTIDE INHIBITOR
Descriptor:NS2B cofactor, NS3 Protease, (S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide
Authors:Phoo, W.W., Zhang, Z.Z.
Deposit date:2017-10-27
Release date:2018-03-21
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural Insights into the Inhibition of Zika Virus NS2B-NS3 Protease by a Small-Molecule Inhibitor
Structure, 26, 2018
5W0L
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CREBBP BROMODOMAIN IN COMPLEX WITH CPD10 (1-(3-(7-(DIFLUOROMETHYL)-6-(1-METHYL-1H-PYRAZOL-4-YL)-3,4-DIHYDROQUINOLIN-1(2H)-YL)-1-(TETRAHYDRO-2H-PYRAN-4-YL)-1,4,6,7-TETRAHYDRO-5H-PYRAZOLO[4,3-C]PYRIDIN-5-YL)ETHAN-1-ONE)
Descriptor:CREB-binding protein, 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
Authors:Murray, J.M.
Deposit date:2017-05-31
Release date:2018-03-07
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
5YGD
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CRYSTAL STRUCTURE OF DROSOPHILA MELANOGASTER PAPI EXTENDED TUDOR DOMAIN (D287A) IN COMPLEX WITH PIWI N-TERMINAL R10ME2S PEPTIDE
Descriptor:GH18329p, ASP-GLN-GLY-ARG-GLY-ARG-2MR-ARG-PRO-LEU-ASN
Authors:Zhang, Y.H., Huang, Y.
Deposit date:2017-09-22
Release date:2018-03-14
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Structural insights into the sequence-specific recognition of Piwi byDrosophilaPapi
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5W0F
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CREBBP BROMODOMAIN IN COMPLEX WITH CPD3 ((S)-1-(3-(6-(1-METHYL-1H-PYRAZOL-4-YL)-3,4-DIHYDROQUINOLIN-1(2H)-YL)-1-(TETRAHYDROFURAN-3-YL)-1,4,6,7-TETRAHYDRO-5H-PYRAZOLO[4,3-C]PYRIDIN-5-YL)ETHAN-1-ONE)
Descriptor:CREB-binding protein, 1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
Authors:Murray, J.M.
Deposit date:2017-05-30
Release date:2018-03-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
5YGF
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CRYSTAL STRUCTURE OF DROSOPHILA MELANOGASTER PAPI EXTENDED TUDOR DOMAIN (D287A) IN COMPLEX WITH PIWI N-TERMINAL R10-UNME PEPTIDE
Descriptor:GH18329p, ASP-GLN-GLY-ARG-GLY-ARG-ARG-ARG-PRO
Authors:Zhang, Y.H., Huang, Y.
Deposit date:2017-09-22
Release date:2018-03-14
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Structural insights into the sequence-specific recognition of Piwi byDrosophilaPapi
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1D4A
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CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE AT 1.7 A RESOLUTION
Descriptor:QUINONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Faig, M., Bianchet, M.A., Chen, S., Winski, S., Ross, D., Amzel, L.M.
Deposit date:1999-10-01
Release date:1999-10-15
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of recombinant human and mouse NAD(P)H:quinone oxidoreductases: species comparison and structural changes with substrate binding and release.
Proc.Natl.Acad.Sci.USA, 97, 2000
1DF7
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DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND METHOTREXATE
Descriptor:DIHYDROFOLATE REDUCTASE, SULFATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Li, R., Sirawaraporn, R., Chitnumsub, P., Sirawaraporn, W., Wooden, J., Athappilly, F., Turley, S., Hol, W.G.
Deposit date:1999-11-17
Release date:2000-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Three-dimensional structure of M. tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs.
J.Mol.Biol., 295, 2000
2ICJ
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THE CRYSTAL STRUCTURE OF HUMAN ISOPENTENYL DIPHOPHATE ISOMERASE
Descriptor:Isopentenyl-diphosphate delta isomerase, MAGNESIUM ION, SULFATE ION
Authors:Zheng, W., Bartlam, M., Rao, Z.
Deposit date:2006-09-12
Release date:2007-03-20
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystal structure of human isopentenyl diphosphate isomerase at 1.7 A resolution reveals its catalytic mechanism in isoprenoid biosynthesis
J.Mol.Biol., 366, 2007
5W0Q
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CREBBP BROMODOMAIN IN COMPLEX WITH CPD17 (N,2,7-TRIMETHYL-2,3-DIHYDRO-4H-BENZO[B][1,4]OXAZINE-4-CARBOXAMIDE)
Descriptor:CREB-binding protein, SULFATE ION, (2R)-N,2,7-trimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide
Authors:Murray, J.M.
Deposit date:2017-05-31
Release date:2018-03-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
2QSS
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BOVINE HEMOGLOBIN AT PH 6.3
Descriptor:Hemoglobin subunit alpha, Hemoglobin subunit beta, CARBON MONOXIDE, ...
Authors:Aranda IV, R., Richards, M.P., Phillips Jr., G.N.
Deposit date:2007-07-31
Release date:2008-09-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
4LZ0
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A236G EPI-ISOZIZAENE SYNTHASE: COMPLEX WITH MG, INORGANIC PYROPHOSPHATE AND BENZYL TRIETHYL AMMONIUM CATION
Descriptor:Epi-isozizaene synthase, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Li, R., Chou, W., Himmelberger, J.A., Litwin, K., Harris, G., Cane, D.E., Christianson, D.W.
Deposit date:2013-07-31
Release date:2013-12-18
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.754 Å)
Cite:Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase.
Biochemistry, 53, 2014
1DG7
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DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND 4-BROMO WR99210
Descriptor:DIHYDROFOLATE REDUCTASE, 1-[3-(4-BROMO-PHENOXY)-PROPOXY]-6,6-DIMETHYL-1.6-DIHYDRO-[1,3,5]TRIAZINE-2,4-DIAMINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Li, R., Sirawaraporn, R., Chitnumsub, P., Sirawaraporn, W., Wooden, J., Athappilly, F., Turley, S., Hol, W.G.
Deposit date:1999-11-23
Release date:2000-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional structure of M. tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs.
J.Mol.Biol., 295, 2000
1EUJ
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A NOVEL ANTI-TUMOR CYTOKINE CONTAINS A RNA-BINDING MOTIF PRESENT IN AMINOACYL-TRNA SYNTHETASES
Descriptor:ENDOTHELIAL MONOCYTE ACTIVATING POLYPEPTIDE 2
Authors:Kim, Y., Shin, J., Li, R., Cheong, C., Kim, S.
Deposit date:2000-04-17
Release date:2000-09-06
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A novel anti-tumor cytokine contains an RNA binding motif present in aminoacyl-tRNA synthetases.
J.Biol.Chem., 275, 2000