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8TBK
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BU of 8tbk by Molmil
Tricomplex of RMC-7977, KRAS G12C, and CypA
Descriptor: (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, GTPase KRas, MAGNESIUM ION, ...
Authors:Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
Deposit date:2023-06-28
Release date:2024-02-07
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 2024
8TBI
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BU of 8tbi by Molmil
Tricomplex of RMC-7977, NRAS WT, and CypA
Descriptor: (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, GTPase NRas, MAGNESIUM ION, ...
Authors:Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
Deposit date:2023-06-28
Release date:2024-02-07
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 2024
8TBL
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BU of 8tbl by Molmil
Tricomplex of RMC-7977, KRAS G12D, and CypA
Descriptor: (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, GTPase KRas, MAGNESIUM ION, ...
Authors:Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
Deposit date:2023-06-28
Release date:2024-02-07
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 2024
8TBM
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BU of 8tbm by Molmil
Tricomplex of RMC-7977, KRAS G12V, and CypA
Descriptor: (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, GLYCEROL, GTPase KRas, ...
Authors:Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
Deposit date:2023-06-28
Release date:2024-02-07
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 2024
8TBN
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BU of 8tbn by Molmil
Tricomplex of RMC-7977, KRAS G12S, and CypA
Descriptor: (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, GTPase KRas, MAGNESIUM ION, ...
Authors:Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
Deposit date:2023-06-28
Release date:2024-02-07
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 2024
7BZW
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BU of 7bzw by Molmil
Structure of Hsp21
Descriptor: Heat shock protein 21, chloroplastic
Authors:Lau, W.C.Y.
Deposit date:2020-04-28
Release date:2021-04-28
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural basis of substrate recognition and thermal protection by a small heat shock protein.
Nat Commun, 12, 2021
7BZY
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BU of 7bzy by Molmil
Hsp21-DXPS
Descriptor: 1-deoxy-D-xylulose-5-phosphate synthase, chloroplastic, Heat shock protein 21
Authors:Lau, W.C.Y.
Deposit date:2020-04-29
Release date:2021-07-28
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of substrate recognition and thermal protection by a small heat shock protein.
Nat Commun, 12, 2021
7BZX
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BU of 7bzx by Molmil
DXPS
Descriptor: 1-deoxy-D-xylulose-5-phosphate synthase, chloroplastic
Authors:Lau, W.C.Y.
Deposit date:2020-04-28
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis of substrate recognition and thermal protection by a small heat shock protein.
Nat Commun, 12, 2021
8XLQ
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BU of 8xlq by Molmil
FGFR4 kinase domain with a dual-warhead covalent inhibitor CXF-007
Descriptor: CXF007, Fibroblast growth factor receptor 4, SULFATE ION
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2023-12-26
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: CXF007, Fibroblast growth factor receptor 1, SULFATE ION
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2023-12-26
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
8WRZ
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BU of 8wrz by Molmil
Cry-EM structure of cannabinoid receptor-arrestin 2 complex
Descriptor: (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Beta-arrestin-1, Soluble cytochrome b562,Cannabinoid receptor 1, ...
Authors:Wang, Y.X, Wang, T, Wu, L.J, Hua, T, Liu, Z.J.
Deposit date:2023-10-16
Release date:2024-02-28
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structure of cannabinoid receptor CB1-beta-arrestin complex.
Protein Cell, 15, 2024
4FTW
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BU of 4ftw by Molmil
Crystal structure of a carboxyl esterase N110C/L145H at 2.3 angstrom resolution
Descriptor: 3-CYCLOHEXYLPROPYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE, CHLORIDE ION, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ...
Authors:Wu, L, Ma, J, Zhou, J, Yu, H.
Deposit date:2012-06-28
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Enhanced enantioselectivity of a carboxyl esterase from Rhodobacter sphaeroides by directed evolution.
Appl.Microbiol.Biotechnol., 97, 2013
4XFO
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BU of 4xfo by Molmil
Structure of an amyloid-forming segment TAVVTN from human Transthyretin
Descriptor: Amyloid-forming peptide TAVVTN
Authors:Saelices, L, Sawaya, M, Cascio, D, Eisenberg, D.S.
Deposit date:2014-12-27
Release date:2015-10-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4XFN
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BU of 4xfn by Molmil
Structure of an Amyloid forming peptide AEVVFT from Human Transthyretin
Descriptor: Amyloid forming peptide AEVVFT
Authors:Saelices, L, Sawaya, M, Cascio, D, Eisenberg, D.S.
Deposit date:2014-12-27
Release date:2015-10-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4FHZ
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BU of 4fhz by Molmil
Crystal structure of a carboxyl esterase at 2.0 angstrom resolution
Descriptor: DI(HYDROXYETHYL)ETHER, Phospholipase/Carboxylesterase, SODIUM ION
Authors:Wu, L, Ma, J, Zhou, J, Yu, H.
Deposit date:2012-06-07
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Enhanced enantioselectivity of a carboxyl esterase from Rhodobacter sphaeroides by directed evolution.
Appl.Microbiol.Biotechnol., 97, 2013
3OQU
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BU of 3oqu by Molmil
Crystal structure of native abscisic acid receptor PYL9 with ABA
Descriptor: (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
Authors:Zhang, X, Zhang, Q, Chen, Z.
Deposit date:2010-09-04
Release date:2011-09-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural Insights into the Abscisic Acid Stereospecificity by the ABA Receptors PYR/PYL/RCAR
Plos One, 8, 2013
1OQE
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BU of 1oqe by Molmil
Crystal structure of sTALL-1 with BAFF-R
Descriptor: Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 13C
Authors:Zhang, G.
Deposit date:2003-03-07
Release date:2003-05-13
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003
1OQD
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BU of 1oqd by Molmil
Crystal structure of sTALL-1 and BCMA
Descriptor: Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 17
Authors:Zhang, G.
Deposit date:2003-03-07
Release date:2003-05-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003
3OJI
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BU of 3oji by Molmil
X-ray crystal structure of the Py13 -pyrabactin complex
Descriptor: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL3, SULFATE ION
Authors:Zhang, X, Zhang, Q, Wang, G, Chen, Z.
Deposit date:2010-08-23
Release date:2011-08-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
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
Descriptor: hIAPP(residues 19-29)S20G
Authors: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.
Deposit date:2016-06-28
Release date:2016-12-21
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.9 Å)
Cite:Atomic structures of fibrillar segments of hIAPP suggest tightly mated beta-sheets are important for cytotoxicity.
Elife, 6, 2017
3KLX
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BU of 3klx by Molmil
Crystal structure of native abscisic acid receptor PYL3
Descriptor: F3N23.20 protein, SULFATE ION
Authors:Zhang, X, Wang, G, Chen, Z.
Deposit date:2009-11-09
Release date:2010-11-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid, ACETIC ACID, Microtubule-associated protein, ...
Authors:Landau, M, Eisenberg, D.
Deposit date:2010-09-16
Release date:2011-07-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.81 Å)
Cite: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
Descriptor: ACETIC ACID, GGVLVN peptide, amyloid forming segment, ...
Authors:Zhao, A, Sawaya, M.R, Eisenberg, D.
Deposit date:2010-11-24
Release date:2011-06-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based design of non-natural amino-acid inhibitors of amyloid fibril formation.
Nature, 475, 2011
4QNP
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BU of 4qnp by Molmil
Crystal structure of the 2009 pandemic H1N1 influenza virus neuraminidase with a neutralizing antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Wan, H.Q, Yang, H, Shore, D.A, Garten, R.J, Couzens, L, Gao, J, Jiang, L.L, Carney, P.J, Villanueva, J, Stevens, J, Eichelberger, M.C.
Deposit date:2014-06-18
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural characterization of a protective epitope spanning A(H1N1)pdm09 influenza virus neuraminidase monomers.
Nat Commun, 6, 2015
4I5L
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BU of 4i5l by Molmil
Structural mechanism of trimeric PP2A holoenzyme involving PR70: insight for Cdc6 dephosphorylation
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, MALONATE ION, ...
Authors:Wlodarchak, N, Satyshur, K.A, Guo, F, Xing, Y.
Deposit date:2012-11-28
Release date:2013-05-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structure of the Ca(2+)-dependent PP2A heterotrimer and insights into Cdc6 dephosphorylation.
Cell Res., 23, 2013

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PDB entries from 2024-05-01

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