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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
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
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
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
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
6TQL
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BU of 6tql by Molmil
Cryo-EM of elastase-treated human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L.
Deposit date:2019-12-16
Release date:2020-11-04
Last modified:2021-03-03
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Cryo-EM structure of native human uromodulin, a zona pellucida module polymer.
Embo J., 39, 2020
6TQK
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BU of 6tqk by Molmil
Cryo-EM of native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, ...
Authors:Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L.
Deposit date:2019-12-16
Release date:2020-11-04
Last modified:2021-03-03
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Cryo-EM structure of native human uromodulin, a zona pellucida module polymer.
Embo J., 39, 2020
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
3NSM
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BU of 3nsm by Molmil
Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 from Ostrinia furnacalis
Descriptor: 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
7BPC
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BU of 7bpc by Molmil
Crystal structure of 2, 3-dihydroxybenzoic acid decarboxylase from Fusarium oxysporum in complex with 2,5-DHBA
Descriptor: 2,3-dihydroxybenzoate decarboxylase, 2,5-dihydroxybenzoic acid, ZINC ION
Authors:Song, M.K, Feng, J.H, Liu, W.D, Wu, Q.Q, Zhu, D.M.
Deposit date:2020-03-22
Release date:2020-07-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:2,3-Dihydroxybenzoic Acid Decarboxylase from Fusarium oxysporum: Crystal Structures and Substrate Recognition Mechanism.
Chembiochem, 21, 2020
8RD2
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BU of 8rd2 by Molmil
Trypanosoma brucei Invariant Surface Glycoprotein 75 (ISG75)
Descriptor: Invariant surface glycoprotein
Authors:Stodkilde-Jorgensen, K, Mikkelsen, J.H.
Deposit date:2023-12-07
Release date:2024-02-14
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Trypanosoma brucei Invariant Surface Glycoprotein 75 Is an Immunoglobulin Fc Receptor Inhibiting Complement Activation and Antibody-Mediated Cellular Phagocytosis.
J Immunol., 212, 2024
7BP1
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BU of 7bp1 by Molmil
Crystal structure of 2, 3-dihydroxybenzoic acid decarboxylase from Fusarium oxysporum in complex with Catechol
Descriptor: 2,3-dihydroxybenzoate decarboxylase, CATECHOL, ZINC ION
Authors:Song, M.K, Feng, J.H, Liu, W.D, Wu, Q.Q, Zhu, D.M.
Deposit date:2020-03-21
Release date:2020-07-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:2,3-Dihydroxybenzoic Acid Decarboxylase from Fusarium oxysporum: Crystal Structures and Substrate Recognition Mechanism.
Chembiochem, 21, 2020
8H8Y
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BU of 8h8y by Molmil
Crystal structure of AbHheG from Acidimicrobiia bacterium
Descriptor: GLYCEROL, alpha/beta hydrolase
Authors:Zhou, C.H, Chen, X, Han, X, Liu, W.D, Wu, Q.Q, Zhu, D.M, Ma, Y.H.
Deposit date:2022-10-24
Release date:2023-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Flipping the Substrate Creates a Highly Selective Halohydrin Dehalogenase for the Synthesis of Chiral 4-Aryl-2-oxazolidinones from Readily Available Epoxides
Acs Catalysis, 13, 2023
8HQP
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BU of 8hqp by Molmil
Crystal structure of AbHheG mutant from Acidimicrobiia bacterium
Descriptor: AbHheG_m
Authors:Zhou, C.H, Chen, X, Han, X, Liu, W.D, Wu, Q.Q, Zhu, D.M, Ma, Y.H.
Deposit date:2022-12-13
Release date:2023-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Flipping the Substrate Creates a Highly Selective Halohydrin Dehalogenase for the Synthesis of Chiral 4-Aryl-2-oxazolidinones from Readily Available Epoxides
Acs Catalysis, 13, 2023
7PFP
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BU of 7pfp by Molmil
Full-length cryo-EM structure of the native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B.
Deposit date:2021-08-11
Release date:2022-03-16
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
7JM5
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BU of 7jm5 by Molmil
Crystal structure of KDM4B in complex with QC6352
Descriptor: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-07-31
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma.
Sci Transl Med, 14, 2022
2G72
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BU of 2g72 by Molmil
Structure of hPNMT with inhibitor 3-fluoromethyl-7-thiomorpholinosulfonamide-THIQ and AdoMet
Descriptor: (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE, Phenylethanolamine N-methyltransferase, S-ADENOSYLMETHIONINE
Authors:Tyndall, J.D.A, Gee, C.L, Martin, J.L.
Deposit date:2006-02-27
Release date:2007-02-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
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

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数据于2024-08-14公开中

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