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4XFN
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BU of 4xfn by Molmil
Structure of an Amyloid forming peptide AEVVFT from Human Transthyretin
分子名称: Amyloid forming peptide AEVVFT
著者Saelices, L, Sawaya, M, Cascio, D, Eisenberg, D.S.
登録日2014-12-27
公開日2015-10-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
3OQU
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BU of 3oqu by Molmil
Crystal structure of native abscisic acid receptor PYL9 with ABA
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL9
著者Zhang, X, Zhang, Q, Chen, Z.
登録日2010-09-04
公開日2011-09-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structural Insights into the Abscisic Acid Stereospecificity by the ABA Receptors PYR/PYL/RCAR
Plos One, 8, 2013
3OJI
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BU of 3oji by Molmil
X-ray crystal structure of the Py13 -pyrabactin complex
分子名称: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL3, SULFATE ION
著者Zhang, X, Zhang, Q, Wang, G, Chen, Z.
登録日2010-08-23
公開日2011-08-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
9BG1
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BU of 9bg1 by Molmil
Tri-complex of Compound-3, KRAS G12V, and CypA
分子名称: (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ...
著者Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
登録日2024-04-18
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Tri-complex of Compound-3, KRAS G12V, and CypA
To be published
9BFY
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BU of 9bfy by Molmil
Tri-complex of Compound-12, KRAS G12C, and CypA
分子名称: (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ...
著者Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
登録日2024-04-18
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Tri-complex of Compound-12, KRAS G12C, and CypA
To be published
9AX6
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BU of 9ax6 by Molmil
Tricomplex of RMC-6236, KRAS G12D, and CypA
分子名称: (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide, GTPase KRas, MAGNESIUM ION, ...
著者Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
登録日2024-03-05
公開日2024-04-17
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers.
Cancer Discov, 14, 2024
8ITR
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BU of 8itr by Molmil
Crystal structure of lysophosphatidylcholine in complex with human serum albumin
分子名称: Albumin, [1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE
著者Wang, Y, Jiang, L.G, Huang, M.D.
登録日2023-03-22
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Crystal structures of human serum albumin in complex with lysophosphatidylcholine.
Biophys.J., 122, 2023
8TBF
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BU of 8tbf by Molmil
Tricomplex of RMC-7977, KRAS WT, and CypA
分子名称: (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, 1,2-ETHANEDIOL, GTPase KRas, ...
著者Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
登録日2023-06-28
公開日2024-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
6PWR
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BU of 6pwr by Molmil
Crystal structure of the cow C-type carbohydrate-recognition domain of CD23 in the presence of GlcNAc-beta1-2-Man
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, CALCIUM ION, Fc fragment of IgE receptor II
著者Weis, W.I, Feinberg, H.
登録日2019-07-23
公開日2019-09-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献CD23 is a glycan-binding receptor in some mammalian species.
J.Biol.Chem., 294, 2019
4FHZ
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BU of 4fhz by Molmil
Crystal structure of a carboxyl esterase at 2.0 angstrom resolution
分子名称: DI(HYDROXYETHYL)ETHER, Phospholipase/Carboxylesterase, SODIUM ION
著者Wu, L, Ma, J, Zhou, J, Yu, H.
登録日2012-06-07
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Enhanced enantioselectivity of a carboxyl esterase from Rhodobacter sphaeroides by directed evolution.
Appl.Microbiol.Biotechnol., 97, 2013
4FTW
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BU of 4ftw by Molmil
Crystal structure of a carboxyl esterase N110C/L145H at 2.3 angstrom resolution
分子名称: 3-CYCLOHEXYLPROPYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE, CHLORIDE ION, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ...
著者Wu, L, Ma, J, Zhou, J, Yu, H.
登録日2012-06-28
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Enhanced enantioselectivity of a carboxyl esterase from Rhodobacter sphaeroides by directed evolution.
Appl.Microbiol.Biotechnol., 97, 2013
4DS8
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BU of 4ds8 by Molmil
Complex structure of abscisic acid receptor PYL3-(+)-ABA-HAB1 in the presence of Mn2+
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3, GLYCEROL, ...
著者Zhang, X, Zhang, Q, Wang, G, Chen, Z.
登録日2012-02-18
公開日2012-06-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
1OQD
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BU of 1oqd by Molmil
Crystal structure of sTALL-1 and BCMA
分子名称: Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 17
著者Zhang, G.
登録日2003-03-07
公開日2003-05-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003
1OQE
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BU of 1oqe by Molmil
Crystal structure of sTALL-1 with BAFF-R
分子名称: Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 13C
著者Zhang, G.
登録日2003-03-07
公開日2003-05-13
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003
4ZS6
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BU of 4zs6 by Molmil
Receptor binding domain and Fab complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S protein, fab Heavy Chain, ...
著者Yu, X, Wang, X.
登録日2015-05-13
公開日2015-09-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.166 Å)
主引用文献Structural basis for the neutralization of MERS-CoV by a human monoclonal antibody MERS-27
Sci Rep, 5, 2015
5KNZ
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BU of 5knz by Molmil
Human Islet Amyloid Polypeptide Segment 19-SGNNFGAILSS-29 with Early Onset S20G Mutation Determined by MicroED
分子名称: hIAPP(residues 19-29)S20G
著者Krotee, P.A.L, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Shi, D, Nannenga, B.L, Hattne, J, Reyes, F.E, Gonen, T, Eisenberg, D.S.
登録日2016-06-28
公開日2016-12-21
最終更新日2024-03-06
実験手法ELECTRON CRYSTALLOGRAPHY (1.9 Å)
主引用文献Atomic structures of fibrillar segments of hIAPP suggest tightly mated beta-sheets are important for cytotoxicity.
Elife, 6, 2017
4L72
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BU of 4l72 by Molmil
Crystal structure of MERS-CoV complexed with human DPP4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
著者Wang, X.Q, Wang, N.S.
登録日2013-06-13
公開日2013-08-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.005 Å)
主引用文献Structure of MERS-CoV spike receptor-binding domain complexed with human receptor DPP4
Cell Res., 23, 2013
3OVJ
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BU of 3ovj by Molmil
Structure of an amyloid forming peptide KLVFFA from amyloid beta in complex with orange G
分子名称: 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid, KLVFFA hexapeptide segment from Amyloid beta
著者Landau, M, Eisenberg, D.
登録日2010-09-16
公開日2011-07-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Towards a pharmacophore for amyloid.
Plos Biol., 9, 2011
3PPD
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BU of 3ppd by Molmil
GGVLVN segment from Human Prostatic Acid Phosphatase Residues 260-265, involved in Semen-Derived Enhancer of Viral Infection
分子名称: ACETIC ACID, GGVLVN peptide, amyloid forming segment, ...
著者Zhao, A, Sawaya, M.R, Eisenberg, D.
登録日2010-11-24
公開日2011-06-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based design of non-natural amino-acid inhibitors of amyloid fibril formation.
Nature, 475, 2011
4DSB
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BU of 4dsb by Molmil
Complex Structure of Abscisic Acid Receptor PYL3 with (+)-ABA in Spacegroup of I 212121 at 2.70A
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3
著者Zhang, X, Zhang, Q, Chen, Z.
登録日2012-02-18
公開日2012-06-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
4DSC
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BU of 4dsc by Molmil
Complex structure of abscisic acid receptor PYL3 with (+)-ABA in spacegroup of H32 at 1.95A
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3, MAGNESIUM ION
著者Zhang, X, Chen, Z.
登録日2012-02-18
公開日2012-06-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
3OVL
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BU of 3ovl by Molmil
Structure of an amyloid forming peptide VQIVYK from the TAU protein in complex with orange G
分子名称: 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid, ACETIC ACID, Microtubule-associated protein, ...
著者Landau, M, Eisenberg, D.
登録日2010-09-16
公開日2011-07-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Towards a pharmacophore for amyloid.
Plos Biol., 9, 2011
8XLQ
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FGFR4 kinase domain with a dual-warhead covalent inhibitor CXF-007
分子名称: CXF007, Fibroblast growth factor receptor 4, SULFATE ION
著者Chen, X.J, Chen, Y.H.
登録日2023-12-26
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
8XLO
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BU of 8xlo by Molmil
FGFR1 kinase domain with a dual-warhead covalent inhibitor CXF-007
分子名称: CXF007, Fibroblast growth factor receptor 1, SULFATE ION
著者Chen, X.J, Chen, Y.H.
登録日2023-12-26
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
7FAP
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Structure of VAR2CSA-CSA 3D7
分子名称: 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-3)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid, Erythrocyte membrane protein 1, PfEMP1
著者Wang, L, Wang, Z.
登録日2021-07-07
公開日2022-05-04
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The molecular mechanism of cytoadherence to placental or tumor cells through VAR2CSA from Plasmodium falciparum.
Cell Discov, 7, 2021

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