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4FAD
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BU of 4fad by Molmil
Design and Synthesis of a Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative as a Potent Inhibitor of PI3Ka and mTOR
分子名称: 2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Greasley, S.E, Knighton, D.R, LaFleur Rogers, C.M.
登録日2012-05-22
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design and synthesis of a novel pyrrolidinyl pyrido pyrimidinone derivative as a potent inhibitor of PI3Kalpha and mTOR
Bioorg.Med.Chem.Lett., 22, 2012
6J14
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BU of 6j14 by Molmil
Complex structure of GY-14 and PD-1
分子名称: GY-14 heavy chain V fragment, GY-14 light chain V fragment, Programmed cell death protein 1
著者Chen, D, Tan, S, Whang, H, Zhang, H, Chai, Y, Qi, J, Yan, J, Gao, G.F.
登録日2018-12-27
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The FG Loop of PD-1 Serves as a "Hotspot" for Therapeutic Monoclonal Antibodies in Tumor Immune Checkpoint Therapy.
Iscience, 14, 2019
3OAW
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BU of 3oaw by Molmil
4-Methylpteridineones as Orally Active and Selective PI3K/mTOR Dual Inhibitors
分子名称: 2-amino-4-methyl-8-(1-methylethyl)-6-(1H-pyrazol-4-yl)pteridin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Knighton, D.R, Greasley, S.E, Rodgers, C.M.-L.
登録日2010-08-05
公開日2010-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献4-methylpteridinones as orally active and selective PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
5L19
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BU of 5l19 by Molmil
Crystal Structure of a human FasL mutant
分子名称: SULFATE ION, Tumor necrosis factor ligand superfamily member 6, ZINC ION
著者Liu, W, Bonanno, J.B, Almo, S.C.
登録日2016-07-28
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Complex of Human FasL and Its Decoy Receptor DcR3.
Structure, 24, 2016
5L36
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BU of 5l36 by Molmil
Crystal Structure of a human FasL mutant in complex with human DcR3
分子名称: SODIUM ION, Tumor necrosis factor ligand superfamily member 6, Tumor necrosis factor receptor superfamily member 6B
著者Liu, W, Bonanno, J.B, Almo, S.C.
登録日2016-08-03
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal Structure of the Complex of Human FasL and Its Decoy Receptor DcR3.
Structure, 24, 2016
6J15
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BU of 6j15 by Molmil
Complex structure of GY-5 Fab and PD-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GY-5 heavy chain Fab, ...
著者Chen, D, Tan, S, Zhang, H, Wang, H, Chai, Y, Qi, J, Yan, J, Gao, G.F.
登録日2018-12-27
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The FG Loop of PD-1 Serves as a "Hotspot" for Therapeutic Monoclonal Antibodies in Tumor Immune Checkpoint Therapy.
Iscience, 14, 2019
6SBO
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BU of 6sbo by Molmil
Estrogen receptor mutant L536S
分子名称: 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
著者Vallee, F, Steier, V, Rak, A.
登録日2019-07-22
公開日2019-11-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献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
6IHJ
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BU of 6ihj by Molmil
Crystal structure of Drosophila Nxf1 NTF2 domain in complex with Nxt1/p15
分子名称: NTF2-related export protein, Nuclear RNA export factor 1
著者Huang, Y, Yuan, X.
登録日2018-09-30
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A Pandas complex adapted for piRNA-guided transcriptional silencing and heterochromatin formation.
Nat.Cell Biol., 21, 2019
4IAN
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BU of 4ian by Molmil
Crystal Structure of apo Human PRPF4B kinase domain
分子名称: SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-06
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
4IFC
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BU of 4ifc by Molmil
Crystal Structure of ADP-bound Human PRPF4B kinase domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-14
公開日2013-08-28
最終更新日2013-11-06
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
4IJP
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BU of 4ijp by Molmil
Crystal Structure of Human PRPF4B kinase domain in complex with 4-{5-[(2-Chloro-pyridin-4-ylmethyl)-carbamoyl]-thiophen-2-yl}-benzo[b]thiophene-2-carboxylic acid amine
分子名称: 4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-22
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
4IIR
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BU of 4iir by Molmil
Crystal Structure of AMPPNP-bound Human PRPF4B kinase domain
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-20
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
3O03
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BU of 3o03 by Molmil
Quaternary complex structure of gluconate 5-dehydrogenase from streptococcus suis type 2
分子名称: CALCIUM ION, D-gluconic acid, Dehydrogenase with different specificities, ...
著者Peng, H, Gao, F, Zhang, Q, Liu, Y, Gao, G.F.
登録日2010-07-18
公開日2010-12-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insight Into the Catalytic Mechanism of Gluconate 5-Dehydrogenase from Streptococcus Suis: Crystal Structures of the Substrate-Free and Quaternary Complex Enzymes.
Protein Sci., 18, 2009
5UIX
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BU of 5uix by Molmil
Crystal Structure of the DH576 CD4bs Fab (unliganded) from the RV305 HIV Vaccine Trial
分子名称: DH576 Fab heavy chain, DH576 Fab light chain
著者Fera, D, Harrison, S.C.
登録日2017-01-15
公開日2017-03-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Boosting of HIV envelope CD4 binding site antibodies with long variable heavy third complementarity determining region in the randomized double blind RV305 HIV-1 vaccine trial.
PLoS Pathog., 13, 2017
5GIT
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BU of 5git by Molmil
BTB domain of KEAP1 in complex with XX3
分子名称: Kelch-like ECH-associated protein 1, [(3aS,5R,5aS,6S,8S,8aS,9S,9aR)-9-acetyloxy-8-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate
著者Zhu, L.L, Li, H.L, Wu, F.S, Xiong, R.
登録日2016-06-25
公開日2017-06-28
最終更新日2019-01-23
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Britanin Ameliorates Cerebral Ischemia-Reperfusion Injury by Inducing the Nrf2 Protective Pathway.
Antioxid. Redox Signal., 27, 2017
6VMZ
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BU of 6vmz by Molmil
Crystal Structure of a H5N1 influenza virus hemagglutinin with CBS1117
分子名称: 2,6-dichloro-N-[1-(propan-2-yl)piperidin-4-yl]benzamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
著者Antanasijevic, A, Durst, M.A, Lavie, A, Caffrey, M.
登録日2020-01-28
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of avian influenza hemagglutinin in complex with a small molecule entry inhibitor.
Life Sci Alliance, 3, 2020
7LVF
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BU of 7lvf by Molmil
Jug R 2 Leader Sequence Residues 1-57
分子名称: Vicilin Jug r 2.0101
著者Mueller, G.A, Foo, A.C.Y, DeRose, E.F.
登録日2021-02-25
公開日2022-02-02
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structure, Immunogenicity, and IgE Cross-Reactivity among Walnut and Peanut Vicilin-Buried Peptides.
J.Agric.Food Chem., 70, 2022
7LXK
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BU of 7lxk by Molmil
Ara h 1 leader sequence, Ara h 1.0101 (25-83) A25G
分子名称: Allergen Ara h 1, clone P41B
著者Mueller, G, London, R.
登録日2021-03-03
公開日2022-03-09
最終更新日2023-03-22
実験手法SOLUTION NMR
主引用文献Structure, Immunogenicity, and IgE Cross-Reactivity among Walnut and Peanut Vicilin-Buried Peptides.
J.Agric.Food Chem., 70, 2022
7LVE
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BU of 7lve by Molmil
Jug r 2 Leader Sequence Residues 117-161
分子名称: Vicilin Jug r 2.0101
著者Mueller, G.A, Foo, A.C.Y, DeRose, E.F.
登録日2021-02-25
公開日2022-02-02
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structure, Immunogenicity, and IgE Cross-Reactivity among Walnut and Peanut Vicilin-Buried Peptides.
J.Agric.Food Chem., 70, 2022
7LVG
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BU of 7lvg by Molmil
Jug r 2 Leader Sequence Residues 69-111
分子名称: Vicilin Jug r 2.0101
著者Mueller, G.A, Foo, A.C.Y, DeRose, E.F.
登録日2021-02-25
公開日2022-02-02
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structure, Immunogenicity, and IgE Cross-Reactivity among Walnut and Peanut Vicilin-Buried Peptides.
J.Agric.Food Chem., 70, 2022
6IW2
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BU of 6iw2 by Molmil
Crystal structure of 5A ScFv in complex with YFV-17D sE in prefusion state
分子名称: Envelope protein E, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A
著者Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
登録日2018-12-04
公開日2019-02-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
分子名称: ADENOSINE-5'-DIPHOSPHATE, Exosome RNA helicase MTR4, MAGNESIUM ION
著者Chen, J.Y, Yun, C.H.
登録日2018-09-14
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献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
分子名称: Envelope protein
著者Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
登録日2018-12-04
公開日2019-02-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: Envelope protein, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A
著者Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
登録日2018-12-04
公開日2019-02-13
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称: Envelope protein E, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A
著者Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
登録日2018-12-04
公開日2019-02-13
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019

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