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8ID1
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BU of 8id1 by Molmil
Crystal structure of N-Methyl-cis-4-hydroxy-L-proline dehydratase in Intestinibacter bartlettii
Descriptor: (2S,4S)-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid, Formate C-acetyltransferase
Authors:Jiang, L, Zhang, Y.
Deposit date:2023-02-11
Release date:2024-03-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.115 Å)
Cite:Glycyl Radical Enzymes Catalyzing the Dehydration of Two Isomers of N-Methyl-4-hydroxyproline
Acs Catalysis, 14, 2024
8IOF
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BU of 8iof by Molmil
Crystal structure of N-methyl-Cis-4-hydroxy-D-proline dehydratase in Clostridium sp. FS41
Descriptor: (2R,4R)-1-methyl-4-hydroxyl-pyrrolidine-2-carboxylic acid, Benzylsuccinate synthase alpha subunit
Authors:Jiang, L, Zhang, Y.
Deposit date:2023-03-11
Release date:2024-03-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Glycyl Radical Enzymes Catalyzing the Dehydration of Two Isomers of N-Methyl-4-hydroxyproline
Acs Catalysis, 14, 2024
5DOI
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BU of 5doi by Molmil
Crystal structure of Tetrahymena p45N and p19
Descriptor: Telomerase associated protein p45, Telomerase-associated protein 19
Authors:Wan, B, Tang, T, Wu, J, Lei, M.
Deposit date:2015-09-11
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Tetrahymena telomerase p75-p45-p19 subcomplex is a unique CST complex
Nat.Struct.Mol.Biol., 22, 2015
8ID7
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BU of 8id7 by Molmil
Crystal structure of YbiW in complex with 1,5-anhydroglucitol-6-phosphate in Escherichia coli
Descriptor: 1,5-anhydro-6-O-phosphono-D-glucitol, Probable dehydratase YbiW
Authors:Ma, K.L, Zhang, Y.
Deposit date:2023-02-12
Release date:2024-10-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A Widespread Radical-Mediated Glycolysis Pathway.
J.Am.Chem.Soc., 146, 2024
5DOF
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BU of 5dof by Molmil
Crystal structure of Tetrahymena p19
Descriptor: Telomerase-associated protein 19
Authors:Wan, B, Tang, T, Wu, J, Lei, M.
Deposit date:2015-09-11
Release date:2015-11-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Tetrahymena telomerase p75-p45-p19 subcomplex is a unique CST complex.
Nat.Struct.Mol.Biol., 22, 2015
8ID0
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BU of 8id0 by Molmil
Crystal structure of PflD bound to 1,5-anhydromannitol-6-phosphate in Streptococcus dysgalactiae subsp. equisimilis
Descriptor: [(2R,3S,4R,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate, formate C-acetyltransferase
Authors:Ma, K.L, Zhang, Y.
Deposit date:2023-02-11
Release date:2024-10-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:A Widespread Radical-Mediated Glycolysis Pathway.
J.Am.Chem.Soc., 146, 2024
5BXI
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BU of 5bxi by Molmil
1.7 Angstrom Resolution Crystal Structure of Putative Nucleoside Diphosphate Kinase from Toxoplasma gondii with Tyrosine of Tag Bound to Active Site
Descriptor: BICARBONATE ION, DI(HYDROXYETHYL)ETHER, Nucleoside diphosphate kinase
Authors:Minasov, G, Ruan, J, Ngo, H, Shuvalova, L, Dubrovska, I, Flores, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-06-09
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii .
Front Cell Infect Microbiol, 8, 2018
5DOK
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BU of 5dok by Molmil
Crystal structure of Tetrahymena p45C
Descriptor: MAGNESIUM ION, Telomerase associated protein p45
Authors:Wan, B, Tang, T, Wu, J, Lei, M.
Deposit date:2015-09-11
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Tetrahymena telomerase p75-p45-p19 subcomplex is a unique CST complex
Nat.Struct.Mol.Biol., 22, 2015
5E95
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BU of 5e95 by Molmil
Crystal Structure of Mb(NS1)/H-Ras Complex
Descriptor: GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Eguchi, R.R, Sha, F, Gupta, A, Koide, A, Koide, S.
Deposit date:2015-10-14
Release date:2016-11-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.402 Å)
Cite:Inhibition of RAS function through targeting an allosteric regulatory site.
Nat. Chem. Biol., 13, 2017
3X3M
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BU of 3x3m by Molmil
Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P212121
Descriptor: CALCIUM ION, ESX-1 secretion system protein EccB1
Authors:Zhang, X.L, Li, D.F, Zhang, X.E, Bi, L.J, Wang, D.C.
Deposit date:2015-01-24
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Core component EccB1 of the Mycobacterium tuberculosis type VII secretion system is a periplasmic ATPase.
Faseb J., 29, 2015
3X3N
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BU of 3x3n by Molmil
Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P21
Descriptor: CALCIUM ION, ESX-1 secretion system protein EccB1
Authors:Zhang, X.L, Li, D.F, Zhang, X.E, Bi, L.J, Wang, D.C.
Deposit date:2015-01-24
Release date:2015-12-09
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Core component EccB1 of the Mycobacterium tuberculosis type VII secretion system is a periplasmic ATPase.
Faseb J., 29, 2015
5Y8Y
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BU of 5y8y by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Song, M, Wang, C.
Deposit date:2017-08-21
Release date:2018-06-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
6JMN
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BU of 6jmn by Molmil
Crystal structure of Ostrinia furnacalis Chitinase h complexed with compound 2-8-s2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide, Chitinase
Authors:Jiang, X, Yang, Q.
Deposit date:2019-03-12
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
6JJR
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BU of 6jjr by Molmil
Crystal structure of human chitotriosidase-1 (hChit1) catalytic domain in complex with compound 2-8-14
Descriptor: 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide, Chitotriosidase-1
Authors:Jiang, X, Yang, Q.
Deposit date:2019-02-26
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.834 Å)
Cite:A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
6JQH
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BU of 6jqh by Molmil
Crystal structure of MaDA
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, MaDA
Authors:Du, X.X, Lei, X.G.
Deposit date:2019-03-31
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:FAD-dependent enzyme-catalysed intermolecular [4+2] cycloaddition in natural product biosynthesis.
Nat.Chem., 12, 2020
6JK9
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BU of 6jk9 by Molmil
Crystal structure of Serratia marcescens Chitinase B complexed with compound 2-8-14
Descriptor: 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide, Chitinase
Authors:Jiang, X, Yang, Q.
Deposit date:2019-02-27
Release date:2020-02-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.312 Å)
Cite:A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
6JK6
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BU of 6jk6 by Molmil
Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 2-8-s2
Descriptor: 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide, Chitotriosidase-1
Authors:Jiang, X, Yang, Q.
Deposit date:2019-02-27
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.571 Å)
Cite:A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
6JKF
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BU of 6jkf by Molmil
Crystal structure of Serratia marcescens Chitinase B complexed with compound 2-8-s2
Descriptor: 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide, Chitinase
Authors:Yang, Q, Jiang, X.
Deposit date:2019-02-28
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
5XNB
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BU of 5xnb by Molmil
Crystal structure of the IcmS-IcmW-DotL complex of the Legionella type IVb secretion system
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DotL, IcmS protein, ...
Authors:Xu, J, Xu, D, Zhu, Y.
Deposit date:2017-05-19
Release date:2017-09-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:Crystal Structure of The IcmS-IcmW Complex in the Legionella Type IVb Secretion System
To Be Published
5XG8
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BU of 5xg8 by Molmil
Galectin-13/Placental Protein 13 variant R53H crystal structure
Descriptor: GLYCEROL, Galactoside-binding soluble lectin 13
Authors:Wang, Y, Su, J.Y.
Deposit date:2017-04-12
Release date:2018-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138
Sci Rep, 8, 2018
5XG7
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BU of 5xg7 by Molmil
Galectin-13/Placental Protein 13 crystal structure
Descriptor: Galactoside-binding soluble lectin 13
Authors:Su, J.Y, Wang, Y.
Deposit date:2017-04-12
Release date:2018-01-31
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138
Sci Rep, 8, 2018
7DAJ
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BU of 7daj by Molmil
The crystal structure of serotonin N-acetyltransferase in complex with acetyl-CoA from Oryza Sativa
Descriptor: ACETYL COENZYME *A, Serotonin N-acetyltransferase 1, chloroplastic
Authors:Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C.
Deposit date:2020-10-16
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
8WPU
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BU of 8wpu by Molmil
Human calcium-sensing receptor(CaSR) bound to cinacalcet in complex with Gq protein
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:Ling, S.L, Meng, X.Y, Tian, C.L.
Deposit date:2023-10-10
Release date:2023-11-22
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex.
Cell Res., 34, 2024
8WPG
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BU of 8wpg by Molmil
Human calcium-sensing receptor bound with cinacalcet in detergent
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:Ling, S.L, Meng, X.Y, Tian, C.L.
Deposit date:2023-10-10
Release date:2023-11-22
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex.
Cell Res., 34, 2024
5Y93
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BU of 5y93 by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 1,2-ETHANEDIOL, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Song, M, Wang, C.
Deposit date:2017-08-22
Release date:2018-06-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018

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PDB entries from 2024-10-09

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