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4FA6
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BU of 4fa6 by Molmil
Design and Synthesis of a Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative as a Potent Inhibitor of PI3Ka and mTOR
Descriptor: 2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Pannifer, A, Greasley, S.E.
Deposit date:2012-05-21
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design and synthesis of a novel pyrrolidinyl pyrido pyrimidinone derivative as a potent inhibitor of PI3Kalpha and mTOR
Bioorg.Med.Chem.Lett., 22, 2012
4IAN
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BU of 4ian by Molmil
Crystal Structure of apo Human PRPF4B kinase domain
Descriptor: SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
Authors:Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
Deposit date:2012-12-06
Release date:2013-08-28
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
5JHL
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BU of 5jhl by Molmil
Crystal structure of zika virus envelope protein in complex with a flavivirus broadly-protective antibody
Descriptor: Antibody Heavy chain, antibody Light chain, envelope protein
Authors:Dai, L, Shi, Y, Qi, J, Gao, G.F.
Deposit date:2016-04-21
Release date:2016-05-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of the Zika Virus Envelope Protein and Its Complex with a Flavivirus Broadly Protective Antibody.
Cell Host Microbe, 19, 2016
5JHM
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BU of 5jhm by Molmil
Crystal structure of Zika virus Envelope protein
Descriptor: Envelope protein
Authors:Dai, L, Shi, Y, Qi, J, Gao, G.F.
Deposit date:2016-04-21
Release date:2016-05-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the Zika Virus Envelope Protein and Its Complex with a Flavivirus Broadly Protective Antibody.
Cell Host Microbe, 19, 2016
6J2A
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BU of 6j2a by Molmil
The structure of HLA-A*3003/NP44
Descriptor: Beta-2-microglobulin, HLA-A*3003, NP44
Authors:Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, F.G, Lou, Y.L, Liu, W.J.
Deposit date:2018-12-31
Release date:2019-09-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
6J1W
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BU of 6j1w by Molmil
The structure of HLA-A*3001/RT313
Descriptor: ALA-ILE-PHE-GLN-SER-SER-MET-THR-LYS, Beta-2-microglobulin, HLA-A*3001
Authors:Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, G.F, Lou, Y.L, Liu, W.J.
Deposit date:2018-12-29
Release date:2019-09-25
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
6J29
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BU of 6j29 by Molmil
The structure of HLA-A*3003/MTB
Descriptor: Beta-2-microglobulin, HLA-A*3003, MTB
Authors:Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, F.G, Lou, Y.L, Liu, W.J.
Deposit date:2018-12-31
Release date:2019-09-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
6J1V
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BU of 6j1v by Molmil
The structure of HLA-A*3003/RT313
Descriptor: Beta-2-microglobulin, HLA-A*3003, RT313
Authors:Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, G.F, Lou, Y.L, Liu, W.J.
Deposit date:2018-12-29
Release date:2019-09-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
2QE3
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BU of 2qe3 by Molmil
Crystal structure of human tl1a extracellular domain
Descriptor: CHLORIDE ION, TNF superfamily ligand TL1A
Authors:Zhan, C, Yan, Q, Patskovsky, Y, Shi, W, Toro, R, Bonanno, J, Nathenson, S.G, Almo, S.C.
Deposit date:2007-06-22
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Biochemical and structural characterization of the human TL1A ectodomain.
Biochemistry, 48, 2009
3FVM
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BU of 3fvm by Molmil
Crystal structure of Steptococcus suis mannonate dehydratase with metal Mn++
Descriptor: MANGANESE (II) ION, Mannonate dehydratase
Authors:Peng, H, Zhang, Q.J, Gao, F, Liu, Y, Gao, F.G.
Deposit date:2009-01-16
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of Streptococcus suis mannonate dehydratase (ManD) and its complex with substrate: genetic and biochemical evidence for a catalytic mechanism
J.Bacteriol., 191, 2009
2RJL
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BU of 2rjl by Molmil
Crystal structure of human TL1A extracellular domain C95S/C135S mutant
Descriptor: TNF superfamily ligand TL1A
Authors:Zhan, C, Patskovsky, Y, Yan, Q, Shi, W, Toro, R, Bonanno, J, Nathenson, S.G, Almo, S.C.
Deposit date:2007-10-15
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Biochemical and structural characterization of the human TL1A ectodomain.
Biochemistry, 48, 2009
2RJK
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BU of 2rjk by Molmil
Crystal Structure of Human TL1A Extracellular Domain C95S Mutant
Descriptor: TNF superfamily ligand TL1A
Authors:Zhan, C, Yan, Q, Patskovsky, Y, Shi, W, Ramagopal, U.A, Toro, R, Bonanno, J, Nathenson, S.G, Almo, S.C.
Deposit date:2007-10-15
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Biochemical and structural characterization of the human TL1A ectodomain.
Biochemistry, 48, 2009
6IW2
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BU of 6iw2 by Molmil
Crystal structure of 5A ScFv in complex with YFV-17D sE in prefusion state
Descriptor: Envelope protein E, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A
Authors:Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
Deposit date:2018-12-04
Release date:2019-02-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6IEG
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BU of 6ieg by Molmil
Crystal structure of human MTR4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Exosome RNA helicase MTR4, MAGNESIUM ION
Authors:Chen, J.Y, Yun, C.H.
Deposit date:2018-09-14
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
6IW5
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BU of 6iw5 by Molmil
Crystal structure of YFV-China sE in prefusion state
Descriptor: Envelope protein
Authors:Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
Deposit date:2018-12-04
Release date:2019-02-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6IVZ
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BU of 6ivz by Molmil
Crystal structure of 5A ScFv complexed with YFV-China sE in postfusion state
Descriptor: Envelope protein, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A
Authors:Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
Deposit date:2018-12-04
Release date:2019-02-13
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6IW0
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BU of 6iw0 by Molmil
Crystal structure of 5A ScFv in complex with YFV-17D sE in postfusion state
Descriptor: Envelope protein E, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A
Authors:Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
Deposit date:2018-12-04
Release date:2019-02-13
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6IEH
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BU of 6ieh by Molmil
Crystal structures of the hMTR4-NRDE2 complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Exosome RNA helicase MTR4, ...
Authors:Chen, J.Y, Yun, C.H.
Deposit date:2018-09-14
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.892 Å)
Cite:NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
4EN0
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BU of 4en0 by Molmil
Crystal structure of light
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, PHOSPHATE ION, ...
Authors:Zhan, C, Liu, W, Patskovsky, Y, Ramagopal, U.A, Bonanno, J.B, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
Deposit date:2012-04-12
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Mechanistic basis for functional promiscuity in the TNF and TNF receptor superfamilies: structure of the LIGHT:DcR3 assembly.
Structure, 22, 2014
3PRE
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BU of 3pre by Molmil
Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Descriptor: 2-amino-8-(trans-4-methoxycyclohexyl)-4-methyl-6-(1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R, Greasley, S.E, Rodgers, C.M.-L.
Deposit date:2010-11-29
Release date:2011-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3PRZ
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BU of 3prz by Molmil
Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Descriptor: 4-amino-2-methyl-N-(1H-pyrazol-3-yl)quinazoline-8-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R, Greasley, S.E, Rodgers, C.M.-L.
Deposit date:2010-11-30
Release date:2011-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
4UMX
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BU of 4umx by Molmil
IDH1 R132H in complex with cpd 1
Descriptor: 2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol, GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, ...
Authors:Mathieu, M, Marquette, J.P.
Deposit date:2014-05-22
Release date:2014-11-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule.
J.Biol.Chem., 290, 2015
4UMY
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BU of 4umy by Molmil
IDH1 R132H in complex with cpd 1
Descriptor: GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:McLean, L, Zhang, Y, Mathieu, M.
Deposit date:2014-05-22
Release date:2014-11-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule.
J.Biol.Chem., 290, 2015
6SBO
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BU of 6sbo by Molmil
Estrogen receptor mutant L536S
Descriptor: 6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid, Estrogen receptor
Authors:Vallee, F, Steier, V, Rak, A.
Deposit date:2019-07-22
Release date:2019-11-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery of 6-(2,4-Dichlorophenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid (SAR439859), a Potent and Selective Estrogen Receptor Degrader (SERD) for the Treatment of Estrogen-Receptor-Positive Breast Cancer.
J.Med.Chem., 63, 2020
3PS6
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BU of 3ps6 by Molmil
Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Descriptor: 4-amino-N-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R, Greasley, S.E, Rogers, C.M.-L.
Deposit date:2010-11-30
Release date:2011-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011

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数据于2024-06-26公开中

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