Author results

6QH2
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SOLUTION NMR ENSEMBLE FOR A CHIMERIC KH-S1 DOMAIN CONSTRUCT OF EXOSOMAL POLYNUCLEOTIDE PHOSPHRYLASE AT 298K COMPILED USING THE COMAND METHOD
Descriptor:Polyribonucleotide nucleotidyltransferase
Authors:ElGamacy, M., Truffault, V., Zhu, H., Coles, M.
Deposit date:2019-01-14
Release date:2019-04-10
Last modified:2019-05-15
Method:SOLUTION NMR
Cite:Mapping Local Conformational Landscapes of Proteins in Solution.
Structure, 27, 2019
6QFP
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SOLUTION NMR ENSEMBLE FOR MLBQ AT 298K COMPILED USING THE COMAND METHOD
Descriptor:Putative lipoprotein
Authors:ElGamacy, M., Truffault, V., Zhu, H., Coles, M.
Deposit date:2019-01-10
Release date:2019-04-10
Last modified:2019-05-15
Method:SOLUTION NMR
Cite:Mapping Local Conformational Landscapes of Proteins in Solution.
Structure, 27, 2019
6QF8
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SOLUTION NMR ENSEMBLE FOR HUMAN UBIQUITIN AT 298K COMPILED USING THE COMAND METHOD
Descriptor:Polyubiquitin-B
Authors:ElGamacy, M., Truffault, V., Zhu, H., Coles, M.
Deposit date:2019-01-09
Release date:2019-04-10
Last modified:2019-05-15
Method:SOLUTION NMR
Cite:Mapping Local Conformational Landscapes of Proteins in Solution.
Structure, 27, 2019
6NJE
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CRYSTAL STRUCTURE OF THE MOTOR DOMAIN OF HUMAN KINESIN FAMILY MEMBER 22
Descriptor:Kinesin-like protein KIF22, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Walker, B.C., Zhu, H., Tempel, W., Arrowsmith, C.H., Edwards, A.M., Park, H., Cochran, J.C., Structural Genomics Consortium (SGC)
Deposit date:2019-01-03
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the motor domain of human kinesin family member 22
To Be Published
6JLQ
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CRYSTAL STRUCTURE OF HUMAN USP46-WDR48-WDR20 COMPLEX
Descriptor:Ubiquitin carboxyl-terminal hydrolase 46, WD repeat-containing protein 48, WD repeat-containing protein 20,highly similar to WD repeat protein 20,WD repeat-containing protein 20, ...
Authors:Zhu, H., Zhang, T., Ding, J.
Deposit date:2019-03-06
Release date:2019-07-10
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Crystal structure of human USP46-WDR48-WDR20 complex
To Be Published
6FF6
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CRYSTAL STRUCTURE OF NOVEL REPEAT PROTEIN BRIC1
Descriptor:BRIC1
Authors:ElGamacy, M., Coles, M., Ernst, P., Zhu, H., Hartmann, M.D., Plueckthun, A., Lupas, A.N.
Deposit date:2018-01-03
Release date:2018-09-05
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An Interface-Driven Design Strategy Yields a Novel, Corrugated Protein Architecture.
ACS Synth Biol, 7, 2018
6FES
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CRYSTAL STRUCTURE OF NOVEL REPEAT PROTEIN BRIC2 FUSED TO DARPIN D12
Descriptor:D12_BRIC2, a synthetic protein,D12_BRIC2, a synthetic protein, ...
Authors:ElGamacy, M., Coles, M., Ernst, P., Zhu, H., Hartmann, M.D., Plueckthun, A., Lupas, A.
Deposit date:2018-01-03
Release date:2018-09-05
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:An Interface-Driven Design Strategy Yields a Novel, Corrugated Protein Architecture.
ACS Synth Biol, 7, 2018
6DW1
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CRYO-EM STRUCTURE OF THE BENZODIAZEPINE-SENSITIVE ALPHA1BETA1GAMMA2S TRI-HETEROMERIC GABAA RECEPTOR IN COMPLEX WITH GABA (ECD MAP)
Descriptor:Gamma-aminobutyric acid receptor subunit gamma-2, Gamma-aminobutyric acid receptor subunit alpha-1,Gamma-aminobutyric acid receptor subunit alpha-1, Gamma-aminobutyric acid receptor subunit beta-1,Gamma-aminobutyric acid receptor subunit beta-1, ...
Authors:Phulera, S., Zhu, H., Yu, J., Yoshioka, C., Gouaux, E.
Deposit date:2018-06-26
Release date:2018-08-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of the benzodiazepine-sensitive alpha 1 beta 1 gamma 2S tri-heteromeric GABAAreceptor in complex with GABA.
Elife, 7, 2018
6DW0
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CRYO-EM STRUCTURE OF THE BENZODIAZEPINE-SENSITIVE ALPHA1BETA1GAMMA2S TRI-HETEROMERIC GABAA RECEPTOR IN COMPLEX WITH GABA (WHOLE MAP)
Descriptor:Gamma-aminobutyric acid receptor subunit gamma-2, Gamma-aminobutyric acid receptor subunit alpha-1,Gamma-aminobutyric acid receptor subunit alpha-1, Gamma-aminobutyric acid receptor subunit beta-1,Gamma-aminobutyric acid receptor subunit beta-1, ...
Authors:Phulera, S., Zhu, H., Yu, J., Yoshioka, C., Gouaux, E.
Deposit date:2018-06-26
Release date:2018-08-08
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of the benzodiazepine-sensitive alpha 1 beta 1 gamma 2S tri-heteromeric GABAAreceptor in complex with GABA.
Elife, 7, 2018
6DCG
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DISCOVERY OF MK-8353: AN ORALLY BIOAVAILABLE DUAL MECHANISM ERK INHIBITOR FOR ONCOLOGY
Descriptor:Mitogen-activated protein kinase 1, SULFATE ION, (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide
Authors:Boga, S.B., Deng, Y., Zhu, L., Nan, Y., Cooper, A., Shipps Jr., G.W., Doll, R., Shih, N., Zhu, H., Sun, R., Wang, T., Paliwal, S., Tsui, H., Gao, X., Yao, X., Desai, J., Wang, J., Alhassan, A.B., Kelly, J., Patel, M., Muppalla, K., Gudipati, S., Zhang, L., Buevich, A., Hesk, D., Carr, D., Dayananth, P., Mei, H., Cox, K., Sherborne, B., Hruza, A.W., Xiao, L., Jin, W., Long, B., Liu, G., Taylor, S.A., Kirschmeier, P., Windsor, W.T., Bishop, R., Samatar, A.A.
Deposit date:2018-05-06
Release date:2018-08-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
6CPW
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DISCOVERY OF 3(S)-THIOMETHYL PYRROLIDINE ERK INHIBITORS FOR ONCOLOGY
Descriptor:Mitogen-activated protein kinase 1, SULFATE ION, (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide
Authors:Hruza, A., Hruza, A.
Deposit date:2018-03-14
Release date:2018-05-23
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018
6BNT
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CRYSTAL STRUCTURE OF AP2 MU1 ADAPTIN C-TERMINAL DOMAIN WITH IRS-1 PEPTIDE
Descriptor:AP-2 complex subunit mu, Insulin receptor substrate 1
Authors:Kikuchi, S., Choi, E., Yu, H.
Deposit date:2017-11-17
Release date:2018-11-21
Last modified:2019-06-05
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mitotic regulators and the SHP2-MAPK pathway promote IR endocytosis and feedback regulation of insulin signaling.
Nat Commun, 10, 2019
6B3W
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STRUCTURE OF HS/ACPRC2 IN COMPLEX WITH 5,8-DICHLORO-7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-2-[(4,6-DIMETHYL-2-OXO-1,2-DIHYDROPYRIDIN-3-YL)METHYL]-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE
Descriptor:Enhancer of zeste 2 polycomb repressive complex 2 subunit,Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, Polycomb protein SUZ12, ...
Authors:Gajiwala, K.S., Brooun, A., Liu, W., Deng, Y., Stewart, A.E.
Deposit date:2017-09-25
Release date:2017-12-27
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
6ASY
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BIP-ATP2
Descriptor:78 kDa glucose-regulated protein, GLYCEROL, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Liu, Q., Yang, J., Zong, Y., Columbus, L., Zhou, L.
Deposit date:2017-08-26
Release date:2017-12-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conformation transitions of the polypeptide-binding pocket support an active substrate release from Hsp70s.
Nat Commun, 8, 2017
5YTX
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CRYSTAL STRUCTURE OF YB1 COLD-SHOCK DOMAIN IN COMPLEX WITH UCAACU
Descriptor:Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*UP*CP*AP*AP*CP*U)-3')
Authors:Yang, X., Huang, Y.
Deposit date:2017-11-20
Release date:2018-12-05
Last modified:2019-06-19
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA.
J.Biol.Chem., 2019
5YTV
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CRYSTAL STRUCTURE OF YB1 COLD-SHOCK DOMAIN IN COMPLEX WITH UCAUCU
Descriptor:Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*UP*CP*AP*UP*CP*U)-3')
Authors:Yang, X., Huang, Y.
Deposit date:2017-11-20
Release date:2018-12-05
Last modified:2019-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA.
J.Biol.Chem., 2019
5YTT
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CRYSTAL STRUCTURE OF YB1 COLD-SHOCK DOMAIN IN COMPLEX WITH UCAUGU
Descriptor:Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*UP*CP*AP*UP*GP*U)-3'), SULFATE ION
Authors:Yang, X., Huang, Y.
Deposit date:2017-11-20
Release date:2018-12-05
Last modified:2019-06-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA.
J.Biol.Chem., 2019
5YTS
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CRYSTAL STRUCTURE OF YB1 COLD-SHOCK DOMAIN IN COMPLEX WITH UCUUCU
Descriptor:Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*CP*UP*UP*C)-3'), SULFATE ION
Authors:Yang, X., Huang, Y.
Deposit date:2017-11-20
Release date:2018-12-05
Last modified:2019-06-19
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA.
J.Biol.Chem., 2019
5WDH
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MOTOR DOMAIN OF HUMAN KINESIN FAMILY MEMBER C1
Descriptor:Kinesin-like protein KIFC1, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhu, H., Tempel, W., He, H., Shen, Y., Wang, J., Brothers, G., Landry, R., Arrowsmith, C.H., Edwards, A.M., Park, H., Structural Genomics Consortium (SGC)
Deposit date:2017-07-05
Release date:2017-08-09
Last modified:2017-12-20
Method:X-RAY DIFFRACTION (2.248 Å)
Cite:Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
5WDE
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CRYSTAL STRUCTURE OF THE KIFC3 MOTOR DOMAIN IN COMPLEX WITH ADP
Descriptor:Kinesin-like protein KIFC3, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Shen, Y., Tempel, W., Landry, R., Arrowsmith, C.H., Edwards, A.M., Park, H., Structural Genomics Consortium (SGC)
Deposit date:2017-07-05
Release date:2017-08-09
Last modified:2017-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
5W8L
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CRYSTAL STRUCTURE OF LACTATE DEHYDROGENASE A IN COMPLEX WITH INHIBITOR COMPOUND 59 AND NADH
Descriptor:L-lactate dehydrogenase A chain, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, ...
Authors:Davies, D.R., Dranow, D.M.
Deposit date:2017-06-21
Release date:2018-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8K
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CRYSTAL STRUCTURE OF LACTATE DEHYDROGENASE A IN COMPLEX WITH INHIBITOR COMPOUND 29 AND NADH
Descriptor:L-lactate dehydrogenase A chain, 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Lukacs, C.M., Dranow, D.M.
Deposit date:2017-06-21
Release date:2018-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8J
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CRYSTAL STRUCTURE OF LACTATE DEHYDROGENASE A IN COMPLEX WITH INHIBITOR COMPOUND 29
Descriptor:L-lactate dehydrogenase A chain, 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, MALONIC ACID, ...
Authors:Lukacs, C.M., Moulin, A.
Deposit date:2017-06-21
Release date:2018-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8I
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CRYSTAL STRUCTURE OF LACTATE DEHYDROGENASE A IN COMPLEX WITH INHIBITOR COMPOUND 23 AND ZINC
Descriptor:L-lactate dehydrogenase A chain, ZINC ION, 2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ...
Authors:Lukacs, C.M., Abendroth, J.
Deposit date:2017-06-21
Release date:2018-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8H
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CRYSTAL STRUCTURE OF LACTATE DEHYDROGENASE A IN COMPLEX WITH INHIBITOR COMPOUND 11
Descriptor:L-lactate dehydrogenase A chain, 2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ACETATE ION, ...
Authors:Lukacs, C.M., Dranow, D.M.
Deposit date:2017-06-21
Release date:2018-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017