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5DH3
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BU of 5dh3 by Molmil
Crystal structure of MST2 in complex with XMU-MP-1
Descriptor: 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SULFATE ION, ...
Authors:Kong, L.L, Yun, C.H.
Deposit date:2015-08-29
Release date:2016-08-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.468 Å)
Cite:Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration
Sci Transl Med, 8, 2016
6U4Y
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BU of 6u4y by Molmil
Crystal Structure of an EZH2-EED Complex in an Oligomeric State
Descriptor: Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
Authors:Jiao, L, Liu, X.
Deposit date:2019-08-26
Release date:2020-07-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:A partially disordered region connects gene repression and activation functions of EZH2.
Proc.Natl.Acad.Sci.USA, 117, 2020
6V2F
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BU of 6v2f by Molmil
Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207
Descriptor: HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
Authors:Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T.
Deposit date:2019-11-22
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Clinical targeting of HIV capsid protein with a long-acting small molecule.
Nature, 584, 2020
1I51
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BU of 1i51 by Molmil
CRYSTAL STRUCTURE OF CASPASE-7 COMPLEXED WITH XIAP
Descriptor: CASPASE-7 SUBUNIT P11, CASPASE-7 SUBUNIT P20, X-LINKED INHIBITOR OF APOPTOSIS PROTEIN
Authors:Chai, J, Shi, Y.
Deposit date:2001-02-23
Release date:2002-02-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis of caspase-7 inhibition by XIAP.
Cell(Cambridge,Mass.), 104, 2001
7OPW
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BU of 7opw by Molmil
Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ136
Descriptor: 14-3-3 protein sigma, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-06-01
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQG
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BU of 7oqg by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ136
Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), BETA-MERCAPTOETHANOL, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-06-03
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQU
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BU of 7oqu by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ180
Descriptor: (2~{S},3~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide, 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-06-04
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQJ
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BU of 7oqj by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ162
Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CHLORIDE ION, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-06-03
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQS
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BU of 7oqs by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ177
Descriptor: 14-3-3 protein sigma, 2-(1,3-benzodioxol-5-yl)-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]ethanamide, Amot-p130 phosphopeptide (pS175), ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-06-04
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQW
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BU of 7oqw by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ178
Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), MAGNESIUM ION, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-06-04
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQ8
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BU of 7oq8 by Molmil
Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ178
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Estrogen receptor, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-06-02
Release date:2022-06-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQ7
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BU of 7oq7 by Molmil
Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ162
Descriptor: 14-3-3 protein sigma, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-06-02
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQA
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BU of 7oqa by Molmil
Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ162
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-06-02
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQ9
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BU of 7oq9 by Molmil
Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ136
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-06-02
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
6IHI
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BU of 6ihi by Molmil
Crystal structure of RasADH 3B3/I91V from Ralstonia.sp in complex with NADPH and A6O
Descriptor: (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M.
Deposit date:2018-09-30
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019
6IHH
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BU of 6ihh by Molmil
Crystal structure of RasADH F12 from Ralstonia.sp in complex with NADPH and A6O
Descriptor: (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M.
Deposit date:2018-09-30
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019
4WWI
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BU of 4wwi by Molmil
Crystal structure of the C domain of staphylococcal protein A in complex with the Fc fragment of human IgG at 2.3 Angstrom resolution
Descriptor: Ig gamma-3 chain C region, Immunoglobulin G-binding protein A
Authors:Deis, L.N, Oas, T.G.
Deposit date:2014-11-11
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.307 Å)
Cite:Suppression of conformational heterogeneity at a protein-protein interface.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XT9
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BU of 4xt9 by Molmil
RORgamma (263-509) complexed with GSK2435341A and SRC2
Descriptor: LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, N-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
Authors:Wang, Y, Ma, Y.
Deposit date:2015-01-23
Release date:2015-08-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of N-(4-aryl-5-aryloxy-thiazol-2-yl)-amides as potent ROR gamma t inverse agonists
Bioorg.Med.Chem., 23, 2015
5EOL
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BU of 5eol by Molmil
Crystal structure of human Pim-1 kinase in complex with a macrocyclic quinoxaline-pyrrolodihydropiperidinone inhibitor
Descriptor: GLYCEROL, Serine/threonine-protein kinase pim-1, macrocyclic quinoxaline-pyrrolodihydropiperidinone
Authors:Mohr, C.
Deposit date:2015-11-10
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Optimization of Macrocyclic Quinoxaline-pyrrolo-dihydropiperidinones as Potent Pim-1/2 Kinase Inhibitors.
Acs Med.Chem.Lett., 7, 2016
6WYJ
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BU of 6wyj by Molmil
Cryo-EM structure of the GltPh L152C-G321C mutant in the intermediate state
Descriptor: ASPARTIC ACID, Glutamate transporter homolog
Authors:Font, J, Chen, I, Sobti, M, Stewart, A.G, Ryan, R.M.
Deposit date:2020-05-13
Release date:2021-02-17
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Glutamate transporters have a chloride channel with two hydrophobic gates.
Nature, 591, 2021
6WYL
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BU of 6wyl by Molmil
Cryo-EM structure of GltPh L152C-G351C mutant in the intermediate outward-facing state.
Descriptor: ASPARTIC ACID, Glutamate transporter homolog
Authors:Font, J, Chen, I, Sobti, M, Stewart, A.G, Ryan, R.M.
Deposit date:2020-05-13
Release date:2021-02-17
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Glutamate transporters have a chloride channel with two hydrophobic gates.
Nature, 591, 2021
6WZB
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BU of 6wzb by Molmil
Crystal structure of the GltPh V216C-G388C mutant cross-linked with divalent mercury
Descriptor: ASPARTIC ACID, Glutamate transporter homolog, MERCURY (II) ION, ...
Authors:Chen, I, Font, J, Ryan, R.
Deposit date:2020-05-13
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Glutamate transporters have a chloride channel with two hydrophobic gates.
Nature, 591, 2021
6WYK
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BU of 6wyk by Molmil
Cryo-EM structure of the GltPh L152C-G321C mutant in the intermediate chloride conducting state.
Descriptor: ASPARTIC ACID, Glutamate transporter homolog
Authors:Font, J, Chen, I, Sobti, M, Stewart, A.G, Ryan, R.M.
Deposit date:2020-05-13
Release date:2021-02-17
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Glutamate transporters have a chloride channel with two hydrophobic gates.
Nature, 591, 2021
6X01
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BU of 6x01 by Molmil
Crystal structure of the GltPh V216C-A391C mutant cross-linked in outward-facing state
Descriptor: ASPARTIC ACID, Glutamate transporter homolog, SODIUM ION
Authors:Chen, I, Font, J, Ryan, R.
Deposit date:2020-05-15
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Glutamate transporters have a chloride channel with two hydrophobic gates.
Nature, 591, 2021
3NSN
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BU of 3nsn by Molmil
Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with TMG-chitotriomycin
Descriptor: 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetylglucosaminidase
Authors:Zhang, H, Liu, T, Liu, F, Yang, Q, Shen, X.
Deposit date:2010-07-02
Release date:2010-11-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Determinants of an Insect {beta}-N-Acetyl-D-hexosaminidase Specialized as a Chitinolytic Enzyme
J.Biol.Chem., 286, 2011

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数据于2024-06-26公开中

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