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4RB4
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BU of 4rb4 by Molmil
Crystal structure of dodecameric iron-containing heptosyltransferase TibC in complex with ADP-D-beta-D-heptose at 3.9 angstrom resolution
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, Glycosyltransferase tibC, ...
Authors:Yao, Q, Lu, Q, Shao, F.
Deposit date:2014-09-12
Release date:2014-11-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.88 Å)
Cite:A structural mechanism for bacterial autotransporter glycosylation by a dodecameric heptosyltransferase family
Elife, 3, 2014
4RAP
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BU of 4rap by Molmil
Crystal structure of bacterial iron-containing dodecameric glycosyltransferase TibC from enterotoxigenic E.coli H10407
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, Glycosyltransferase TibC
Authors:Yao, Q, Lu, Q, Xu, Y, Shao, F.
Deposit date:2014-09-10
Release date:2014-10-29
Method:X-RAY DIFFRACTION (2.881 Å)
Cite:A structural mechanism for bacterial autotransporter glycosylation by a dodecameric heptosyltransferase family.
Elife, 3, 2014
8DKN
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BU of 8dkn by Molmil
PPARg bound to T0070907 and Co-R peptide
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Nuclear receptor corepressor 1 peptide, ...
Authors:Larsen, N.A, Tsai, J.
Deposit date:2022-07-05
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
8DKV
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BU of 8dkv by Molmil
PPARg bound to JTP-426467 and Co-R peptide
Descriptor: 2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Nuclear receptor corepressor 1, ...
Authors:Larsen, N.A.
Deposit date:2022-07-06
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
8DSZ
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BU of 8dsz by Molmil
PPARg bound to partial agonist H3B-487
Descriptor: (2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Larsen, N.A.
Deposit date:2022-07-24
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
8DSY
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BU of 8dsy by Molmil
PPARg bound to inverse agonist H3B-343
Descriptor: Peroxisome proliferator-activated receptor gamma, {5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid
Authors:Larsen, N.A.
Deposit date:2022-07-24
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
3R8B
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BU of 3r8b by Molmil
Crystal structure of Staphylococcal Enterotoxin B in complex with an affinity matured mouse TCR VBeta8.2 protein, G5-8
Descriptor: CHLORIDE ION, Enterotoxin type B, G5-8, ...
Authors:Bonsor, D.A, Sundberg, E.J.
Deposit date:2011-03-23
Release date:2011-04-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Molecular basis of a million-fold affinity maturation process in a protein-protein interaction.
J.Mol.Biol., 411, 2011
5EHR
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BU of 5ehr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP099
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2015-10-28
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases.
Nature, 535, 2016
6UEL
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BU of 6uel by Molmil
CPS1 bound to allosteric inhibitor H3B-193
Descriptor: Carbamoyl-phosphate synthase [ammonia], mitochondrial, N~1~-[(4-fluorophenyl)methyl]-N~1~-methyl-N~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide, ...
Authors:Larsen, N.A, Nguyen, T.V.
Deposit date:2019-09-21
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Small Molecule Inhibition of CPS1 Activity through an Allosteric Pocket.
Cell Chem Biol, 27, 2020
4GAW
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BU of 4gaw by Molmil
Crystal structure of active human granzyme H
Descriptor: CHLORIDE ION, Granzyme H, SULFATE ION
Authors:Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z.
Deposit date:2012-07-25
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification of SERPINB1 as a physiological inhibitor of human granzyme H
J.Immunol., 190, 2013
4GA7
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BU of 4ga7 by Molmil
Crystal structure of human serpinB1 mutant
Descriptor: Leukocyte elastase inhibitor
Authors:Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z.
Deposit date:2012-07-25
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of SERPINB1 as a physiological inhibitor of human granzyme H
J.Immunol., 190, 2013
5VND
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BU of 5vnd by Molmil
Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to H3B-6527
Descriptor: 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide, ...
Authors:Tsai, J.H.C, Reynolds, D, Fekkes, P, Smith, P, Larsen, N.A.
Deposit date:2017-04-30
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:H3B-6527 Is a Potent and Selective Inhibitor of FGFR4 in FGF19-Driven Hepatocellular Carcinoma.
Cancer Res., 77, 2017
6N2X
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BU of 6n2x by Molmil
Anti-HIV-1 Fab 2G12 + Man9 re-refinement
Descriptor: Fab 2G12 heavy chain, Fab 2G12 light chain, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-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:Calarese, D.A, Stanfield, R.L, Wilson, I.A.
Deposit date:2018-11-14
Release date:2018-11-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Antibody domain exchange is an immunological solution to carbohydrate cluster recognition.
Science, 300, 2003
6N35
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BU of 6n35 by Molmil
Anti-HIV-1 Fab 2G12 + Man1-2 re-refinement
Descriptor: BENZOIC ACID, Fab 2G12 heavy chain, Fab 2G12 light chain, ...
Authors:Calarese, D.A, Stanfield, R.L, Wilson, I.A.
Deposit date:2018-11-14
Release date:2018-11-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.747 Å)
Cite:Antibody domain exchange is an immunological solution to carbohydrate cluster recognition.
Science, 300, 2003
6N32
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BU of 6n32 by Molmil
Anti-HIV-1 Fab 2G12 re-refinement
Descriptor: Fab 2G12 heavy chain, Fab 2G12 light chain, SULFATE ION
Authors:Calarese, D.A, Stanfield, R.L, Wilson, I.A.
Deposit date:2018-11-14
Release date:2018-11-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antibody domain exchange is an immunological solution to carbohydrate cluster recognition.
Science, 300, 2003
6NQ8
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BU of 6nq8 by Molmil
Crystal structure of YetJ mutant from Bacillus Subtilis - D171E
Descriptor: Uncharacterized protein YetJ
Authors:Guo, G, Chang, Y, Liu, Q.
Deposit date:2019-01-19
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Ion and pH Sensitivity of a TMBIM Ca2+Channel.
Structure, 27, 2019
6NQ9
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BU of 6nq9 by Molmil
Crystal structure of YetJ mutant from Bacillus Subtilis - D195E
Descriptor: Uncharacterized protein YetJ
Authors:Guo, G, Chang, Y, Liu, Q.
Deposit date:2019-01-19
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Ion and pH Sensitivity of a TMBIM Ca2+Channel.
Structure, 27, 2019
6NQ7
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BU of 6nq7 by Molmil
Crystal structure of YetJ from Bacillus Subtilis crystallized in lipidic cubic phase
Descriptor: GADOLINIUM ATOM, Uncharacterized protein YetJ
Authors:Guo, G, Chang, Y, Liu, Q.
Deposit date:2019-01-19
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ion and pH Sensitivity of a TMBIM Ca2+Channel.
Structure, 27, 2019
8GOU
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BU of 8gou by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-25
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
8GPY
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BU of 8gpy by Molmil
Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv
Descriptor: Spike protein S1, scFv
Authors:Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y.
Deposit date:2022-08-27
Release date:2023-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
5ZWZ
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BU of 5zwz by Molmil
Crystal structure of Arabidopsis thaliana AGDP1 AGD34
Descriptor: Agenet domain-containing protein
Authors:Du, X, Du, J.
Deposit date:2018-05-17
Release date:2018-11-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Arabidopsis AGDP1 links H3K9me2 to DNA methylation in heterochromatin
Nat Commun, 9, 2018
8GHT
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BU of 8ght by Molmil
Cryo-electron microscopy structure of the zinc transporter from Bordetella bronchiseptica
Descriptor: CADMIUM ION, PHOSPHATIDYLETHANOLAMINE, Putative membrane protein
Authors:Liu, Q, Chai, J, Pang, C.X, Shanklin, J.
Deposit date:2023-03-12
Release date:2023-06-21
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structural mechanism of intracellular autoregulation of zinc uptake in ZIP transporters.
Nat Commun, 14, 2023
5ZWX
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BU of 5zwx by Molmil
Crystal structure of Raphanus sativus AGDP1 AGD12 in complex with an H3K9me2 peptide
Descriptor: DUF724 domain-containing protein 6-like, H3(1-15)K9me2 peptide
Authors:Du, X, Du, J.
Deposit date:2018-05-17
Release date:2018-11-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Arabidopsis AGDP1 links H3K9me2 to DNA methylation in heterochromatin
Nat Commun, 9, 2018
6JHB
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BU of 6jhb by Molmil
Crystal structure of NADPH and 4-hydroxyphenylpyruvic acid bound AerF from Microcystis aeruginosa
Descriptor: 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase family protein
Authors:Qiu, X, Wei, Y, Zhu, W.
Deposit date:2019-02-17
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural and functional investigation of AerF, a NADPH-dependent alkenal double bond reductase participating in the biosynthesis of Choi moiety of aeruginosin
J.Struct.Biol., 2019
6JH7
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BU of 6jh7 by Molmil
Crystal structure of AerF from Microcystis aeruginosa
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Short chain dehydrogenase family protein, ...
Authors:Qiu, X.
Deposit date:2019-02-17
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural and functional investigation of AerF, a NADPH-dependent alkenal double bond reductase participating in the biosynthesis of Choi moiety of aeruginosin
J.Struct.Biol., 2019

223532

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