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9BG1
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BU of 9bg1 by Molmil
Tri-complex of Compound-3, KRAS G12V, and CypA
Descriptor: (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, ...
Authors:Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
Deposit date:2024-04-18
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.51 Å)
Cite: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
Descriptor: (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, ...
Authors:Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
Deposit date:2024-04-18
Release date:2024-06-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Tri-complex of Compound-12, KRAS G12C, and CypA
To be published
7BT5
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BU of 7bt5 by Molmil
Crystal structure of plasmodium LysRS complexing with an antitumor compound
Descriptor: LYSINE, Lysine--tRNA ligase, N4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
Authors:Zhou, J, Wang, J, Fang, P.
Deposit date:2020-03-31
Release date:2020-09-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Inhibition of Plasmodium falciparum Lysyl-tRNA synthetase via an anaplastic lymphoma kinase inhibitor.
Nucleic Acids Res., 48, 2020
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
Last modified:2024-11-06
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
7V63
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BU of 7v63 by Molmil
Structure of dimeric uPAR at low pH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor
Authors:Yuan, C, Huang, M.
Deposit date:2021-08-19
Release date:2021-12-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.906 Å)
Cite:Crystal structure and cellular functions of uPAR dimer
Nat Commun, 13, 2022
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
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
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
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
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:2024-10-16
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
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
4RIL
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BU of 4ril by Molmil
Structure of the amyloid forming segment, GAVVTGVTAVA, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 68-78, determined by electron diffraction
Descriptor: Alpha-synuclein
Authors:Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S.
Deposit date:2014-10-06
Release date:2015-08-26
Last modified:2023-09-20
Method:ELECTRON CRYSTALLOGRAPHY (1.43 Å)
Cite:Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
4JDA
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BU of 4jda by Molmil
Complex structure of abscisic acid receptor PYL3 with (-)-ABA
Descriptor: (2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3
Authors:Zhang, X, Wang, G, Chen, Z.
Deposit date:2013-02-24
Release date:2013-07-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Insights into the Abscisic Acid Stereospecificity by the ABA Receptors PYR/PYL/RCAR
Plos One, 8, 2013
4JDL
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BU of 4jdl by Molmil
Crystal structure of native abscisic acid receptor PYL5 at 2.65 Angstrom
Descriptor: Abscisic acid receptor PYL5, GLYCEROL
Authors:Zhang, X, Zhang, Q, Chen, Z.
Deposit date:2013-02-25
Release date:2013-03-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Insights into the Abscisic Acid Stereospecificity by the ABA Receptors PYR/PYL/RCAR
Plos One, 8, 2013
6C3F
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BU of 6c3f by Molmil
AMYLOID FORMING PEPTIDE IYKVEI FROM TRANSTHYRETIN
Descriptor: ILE-TYR-LYS-VAL-GLU-ILE, trifluoroacetic acid
Authors:Saelices, L, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2018-01-09
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Crystal structures of amyloidogenic segments of human transthyretin.
Protein Sci., 27, 2018
6C88
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BU of 6c88 by Molmil
STRUCTURE OF THE AMYLOID FORMING PEPTIDE VAVHVF FROM TRANSTHYRETIN
Descriptor: GLYCEROL, VAL-ALA-VAL-HIS-VAL-PHE
Authors:Saelices, L, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2018-01-24
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Crystal structures of amyloidogenic segments of human transthyretin.
Protein Sci., 27, 2018
5H7V
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BU of 5h7v by Molmil
Structure of full-length extracellular domain of HAI-1 at pH 4.6
Descriptor: Kunitz-type protease inhibitor 1
Authors:Liu, M, Huang, M.
Deposit date:2016-11-21
Release date:2017-03-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.82 Å)
Cite:The crystal structure of a multidomain protease inhibitor (HAI-1) reveals the mechanism of its auto-inhibition
J. Biol. Chem., 292, 2017
6C3G
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BU of 6c3g by Molmil
AMYLOID FORMING PEPTIDE KALGIS FROM TRANSTHYRETIN
Descriptor: GLYCEROL, LYS-ALA-LEU-GLY-ILE-SER, SULFATE ION
Authors:Saelices, L, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2018-01-09
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystal structures of amyloidogenic segments of human transthyretin.
Protein Sci., 27, 2018
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:2024-10-16
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
4NX2
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BU of 4nx2 by Molmil
Crystal structure of DCYRS complexed with DCY
Descriptor: 3,5-dichloro-L-tyrosine, Tyrosine--tRNA ligase
Authors:Wang, J, Gong, W, Li, J, Gao, F, Li, H.
Deposit date:2013-12-08
Release date:2014-09-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014
4NXE
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BU of 4nxe by Molmil
Crystal structure of iLOV-I486(2LT) at pH 6.5
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Wang, J, Liu, X, Li, J.
Deposit date:2013-12-09
Release date:2014-09-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014
4NXF
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BU of 4nxf by Molmil
Crystal structure of iLOV-I486(2LT) at pH 8.0
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Wang, J, Liu, X, Li, J.
Deposit date:2013-12-09
Release date:2014-09-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.766 Å)
Cite:Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014
4NXG
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BU of 4nxg by Molmil
Crystal structure of iLOV-I486z(2LT) at pH 9.0
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Wang, J, Liu, X, Li, J.
Deposit date:2013-12-09
Release date:2014-09-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014

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PDB entries from 2024-11-06

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