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3HJB
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BU of 3hjb by Molmil
1.5 Angstrom Crystal Structure of Glucose-6-phosphate Isomerase from Vibrio cholerae.
Descriptor: CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-05-21
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:1.5 Angstrom Crystal Structure of Glucose-6-phosphate Isomerase from Vibrio cholerae.
To be Published
6CHB
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BU of 6chb by Molmil
Crystal structure of a natively-glycosylated BG505 SOSIP.664 HIV-1 Envelope Trimer in complex with the broadly-neutralizing antibodies BG18 and IOMA
Descriptor: BG18 Heavy Chain, BG18 Light Chain, Envelope glycoprotein gp120, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2018-02-22
Release date:2018-05-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (6.801 Å)
Cite:Structural characterization of a highly-potent V3-glycan broadly neutralizing antibody bound to natively-glycosylated HIV-1 envelope.
Nat Commun, 9, 2018
5KL0
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BU of 5kl0 by Molmil
Crystal Structure of Phosphoglucomutase from Xanthomonas citri citri complexed with Glucose-1,6-biphosphate
Descriptor: 1,6-di-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, Phosphoglucomutase
Authors:Goto, L.S, Pereira, H.M, Novo Mansur, M.T.M.
Deposit date:2016-06-23
Release date:2016-07-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.853 Å)
Cite:Structural and functional characterization of the phosphoglucomutase from Xanthomonas citri subsp. citri.
Biochim.Biophys.Acta, 1864, 2016
3HMQ
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BU of 3hmq by Molmil
1.9 Angstrom resolution crystal structure of a NAD synthetase (nadE) from Salmonella typhimurium LT2 in complex with NAD(+)
Descriptor: NH(3)-dependent NAD(+) synthetase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Halavaty, A.S, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-05-29
Release date:2009-06-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1.9 Angstrom resolution crystal structure of a NAD synthetase (nadE) from Salmonella typhimurium LT2 in complex with NAD(+)
To be Published
7BDM
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BU of 7bdm by Molmil
The adduct of NAMI-A with Hen Egg White Lysozyme at 98 hours.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ...
Authors:Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A.
Deposit date:2020-12-22
Release date:2021-07-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Insights into the Protein Ruthenation Mechanism by Antimetastatic Metallodrugs: High-Resolution X-ray Structures of the Adduct Formed between Hen Egg-White Lysozyme and NAMI-A at Various Time Points.
Inorg.Chem., 60, 2021
7BD0
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BU of 7bd0 by Molmil
The adduct of NAMI-A with Hen Egg White Lysozyme at 26 hours.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, IMIDAZOLE, ...
Authors:Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A.
Deposit date:2020-12-21
Release date:2021-07-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Insights into the Protein Ruthenation Mechanism by Antimetastatic Metallodrugs: High-Resolution X-ray Structures of the Adduct Formed between Hen Egg-White Lysozyme and NAMI-A at Various Time Points.
Inorg.Chem., 60, 2021
5I45
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BU of 5i45 by Molmil
1.35 Angstrom Crystal Structure of C-terminal Domain of Glycosyl Transferase Group 1 Family Protein (LpcC) from Francisella tularensis.
Descriptor: Glycosyl transferases group 1 family protein
Authors:Minasov, G, Filippova, E, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-02-11
Release date:2016-02-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:1.35 Angstrom Crystal Structure of C-terminal Domain of Glycosyl Transferase Group 1 Family Protein (LpcC) from Francisella tularensis.
To Be Published
3KKS
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BU of 3kks by Molmil
Crystal structure of catalytic core domain of BIV integrase in crystal form II
Descriptor: ACETATE ION, GLYCEROL, Integrase
Authors:Shen, Y.
Deposit date:2009-11-06
Release date:2010-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of catalytic core domain of BIV integrase: implications for the interaction between integrase and target DNA
Protein Cell, 1, 2010
5Y52
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BU of 5y52 by Molmil
Crystal Structure of Highly Active BTUO Mutant P287G Improved by Humidity Control at 83% RH
Descriptor: 1,2-ETHANEDIOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
Authors:Itoh, T, Kishimoto, T, Nishiya, Y.
Deposit date:2017-08-07
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Conformational Flexibility of Plastic Interface Loop Allows Entropic Adaptation of Urate Oxidase to Environmental pH
To Be Published
6JN6
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BU of 6jn6 by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19
Descriptor: Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-03-13
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
7D0U
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BU of 7d0u by Molmil
Structure of the CYP102A1 Haem Domain with N-enanthyl-L-prolyl-L-phenylalanine in complex with Ethylamine
Descriptor: (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, ETHANAMINE, ...
Authors:Stanfield, J.K, Sugimoto, H, Shoji, O.
Deposit date:2020-09-11
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure of the CYP102A1 Haem Domain with N-enanthyl-L-prolyl-L-phenylalanine in complex with Ethylamine at 1.68 Angstrom Resolution
To Be Published
7D1F
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BU of 7d1f by Molmil
Structure of the CYP102A1 Haem Domain with N-enanthyl-L-prolyl-L-phenylalanine in complex with Methylamine
Descriptor: (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
Authors:Stanfield, J.K, Sugimoto, H, Shoji, O.
Deposit date:2020-09-14
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of the CYP102A1 Haem Domain with N-enanthyl-L-prolyl-L-phenylalanine in complex with Methylamine at 1.45 Angstrom Resolution
To Be Published
5C6Q
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BU of 5c6q by Molmil
Crystal structure of the apo TOPLESS related protein 2 (TPR2) N-terminal domain (1-209) from rice
Descriptor: ASPR2 protein, ZINC ION
Authors:Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
Deposit date:2015-06-23
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.251 Å)
Cite:Structural basis for recognition of diverse transcriptional repressors by the TOPLESS family of corepressors.
Sci Adv, 1, 2015
5THS
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BU of 5ths by Molmil
Crystal Structure of G302A HDAC8 in complex with M344
Descriptor: 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2016-09-30
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
1DNU
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BU of 1dnu by Molmil
STRUCTURAL ANALYSES OF HUMAN MYELOPEROXIDASE-THIOCYANATE COMPLEX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CALCIUM ION, ...
Authors:Blair-Johnson, M, Fiedler, T.J, Fenna, R.E.
Deposit date:1999-12-16
Release date:2001-12-21
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Human myeloperoxidase: structure of a cyanide complex and its interaction with bromide and thiocyanate substrates at 1.9 A resolution.
Biochemistry, 40, 2001
7WEU
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BU of 7weu by Molmil
Crystal structure of Peroxiredoxin I in complex with compound 19-048
Descriptor: Peroxiredoxin-1, UNKNOWN LIGAND
Authors:Zhang, H, Luo, C.
Deposit date:2021-12-24
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Celastrol suppresses colorectal cancer via covalent targeting peroxiredoxin 1.
Signal Transduct Target Ther, 8, 2023
5T7G
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BU of 5t7g by Molmil
Crystal Structure of Murine MHC-I H-2Dd in complex with Murine Beta2-Microglobulin and a Variant of Peptide (PT9) of HIV gp120 MN Isolate (IGPGRAFYT)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
Authors:Jiang, J, Natarajan, K, Margulies, D.
Deposit date:2016-09-04
Release date:2017-10-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.961 Å)
Cite:Effects of Cross-Presentation, Antigen Processing, and Peptide Binding in HIV Evasion of T Cell Immunity.
J. Immunol., 200, 2018
6ALZ
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BU of 6alz by Molmil
Crystal structure of Protein Phosphatase 1 bound to the natural inhibitor Tautomycetin
Descriptor: (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Choy, M.S, Peti, W, Page, R.
Deposit date:2017-08-08
Release date:2017-11-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.208 Å)
Cite:PP1:Tautomycetin Complex Reveals a Path toward the Development of PP1-Specific Inhibitors.
J. Am. Chem. Soc., 139, 2017
6HMQ
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BU of 6hmq by Molmil
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BENZOTRIAZOLE-TYPE INHIBITOR MB002
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ...
Authors:Niefind, K, Lindenblatt, D, Applegate, V.M, Jose, J, Le Borgne, M.
Deposit date:2018-09-12
Release date:2019-03-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
6HLP
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BU of 6hlp by Molmil
Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Netupitant
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide, CITRIC ACID, ...
Authors:Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A.
Deposit date:2018-09-11
Release date:2019-01-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists.
Nat Commun, 10, 2019
6EKZ
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BU of 6ekz by Molmil
Direct-evolutioned unspecific peroxygenase from Agrocybe aegerita, in complex with propranolol
Descriptor: 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Aromatic peroxygenase, ...
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2017-09-27
Release date:2018-12-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Structural Insights into the Substrate Promiscuity of a Laboratory-Evolved Peroxygenase.
Acs Chem.Biol., 13, 2018
5THV
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BU of 5thv by Molmil
Crystal Structure of G305A HDAC8 in complex with M344
Descriptor: 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2016-09-30
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.868 Å)
Cite:Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
6EF6
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BU of 6ef6 by Molmil
Structure of the microcompartment-associated aminopropanol kinase
Descriptor: (2R)-1-methoxypropan-2-amine, ACETATE ION, Aminoglycoside phosphotransferase, ...
Authors:Mallette, E, Kimber, M.S.
Deposit date:2018-08-16
Release date:2018-10-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural and kinetic characterization of (S)-1-amino-2-propanol kinase from the aminoacetone utilization microcompartment ofMycobacterium smegmatis.
J.Biol.Chem., 293, 2018
5TOE
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BU of 5toe by Molmil
Pim-1 kinase in complex with a 7-azaindole
Descriptor: 2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile, Serine/threonine-protein kinase pim-1
Authors:Mclean, L, Mechin, I, Zhang, Y, Wang, R, Batchelor, J.D.
Deposit date:2016-10-17
Release date:2017-10-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017
5H43
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BU of 5h43 by Molmil
Structural and mechanistical studies of the nuclear import by Importin-alpha
Descriptor: Histone acetyltransferase KAT8, Importin subunit alpha-1
Authors:Wang, R, Li, Y.
Deposit date:2016-10-28
Release date:2017-10-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the nuclear import of the histone acetyltransferase males-absent-on-the-first by importin alpha 1
Traffic, 19, 2018

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数据于2025-10-08公开中

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