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4KMK
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BU of 4kmk by Molmil
Crystal structure of Ribosome Inactivating protein from Momordica balsamina at 1.65 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, rRNA N-glycosidase
Authors:Yamini, S, Pandey, S, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2013-05-08
Release date:2013-05-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of Ribosome Inactivating protein from Momordica balsamina at 1.65 A resolution
To be Published
6D1A
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BU of 6d1a by Molmil
Crystal structure of NDM-1 complexed with compound 1
Descriptor: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
7X73
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BU of 7x73 by Molmil
Structure of G9a in complex with RK-701
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ...
Authors:Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Shirouzu, M, Umehara, T.
Deposit date:2022-03-09
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A specific G9a inhibitor unveils BGLT3 lncRNA as a universal mediator of chemically induced fetal globin gene expression.
Nat Commun, 14, 2023
7XMD
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BU of 7xmd by Molmil
Cryo-EM structure of Cytochrome bo3 from Escherichia coli, the structure complexed with an allosteric inhibitor N4
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
Authors:Nishida, Y, Shigematsu, H, Iwamoto, T, Takashima, S, Shintani, Y.
Deposit date:2022-04-25
Release date:2022-12-21
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
3K1T
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BU of 3k1t by Molmil
Crystal structure of Putative gamma-glutamylcysteine synthetase (YP_546622.1) from METHYLOBACILLUS FLAGELLATUS KT at 1.90 A resolution
Descriptor: CHLORIDE ION, GLYCEROL, Glutamate--cysteine ligase GshA, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-09-28
Release date:2009-11-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Putative gamma-glutamylcysteine synthetase (YP_546622.1) from METHYLOBACILLUS FLAGELLATUS KT at 1.90 A resolution
To be published
5AKU
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BU of 5aku by Molmil
Crystal structure of TNKS2 in complex with 2-(4-tert-butylphenyl)-1,2, 3,4-tetrahydroquinazolin-4-one
Descriptor: 2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ...
Authors:Nkizinkiko, Y, Lehtio, L.
Deposit date:2015-03-05
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.
Bioorg.Med.Chem., 23, 2015
4PPN
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BU of 4ppn by Molmil
Mycobacterium tuberculosis RecA citrate bound low temperature structure IIA-BN
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, Protein RecA, ...
Authors:Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
Deposit date:2014-02-27
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4KTE
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BU of 4kte by Molmil
Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE148, from non-human primate
Descriptor: GE148 Heavy Chain Fab, GE148 Light Chain Fab, GLYCEROL, ...
Authors:Poulsen, C, Tran, K, Stanfield, R, Wyatt, R.T.
Deposit date:2013-05-20
Release date:2014-02-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign.
Proc.Natl.Acad.Sci.USA, 111, 2014
3BGY
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BU of 3bgy by Molmil
Triclinic structure of Mimivirus Capping Enzyme Triphosphatase at 1.65 A
Descriptor: ACETATE ION, Polynucleotide 5'-triphosphatase
Authors:Smith, P, Bennaroch, D, Shuman, S.
Deposit date:2007-11-27
Release date:2008-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Triclinic structure of Mimivirus Capping Enzyme Triphosphatase at 1.65 A
To be Published
4O6G
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BU of 4o6g by Molmil
Rv3902c from M. tuberculosis
Descriptor: Uncharacterized protein
Authors:Reddy, B.G, Moates, D.B, Kim, H, Green, T.J, Kim, C, Terwilliger, T.J, Delucas, L.J, TB Structural Genomics Consortium (TBSGC)
Deposit date:2013-12-20
Release date:2014-03-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:1.55 angstrom resolution X-ray crystal structure of Rv3902c from Mycobacterium tuberculosis.
Acta Crystallogr F Struct Biol Commun, 70, 2014
6V75
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BU of 6v75 by Molmil
Crystal Structure of Human PKM2 in Complex with L-aspartate
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, ASPARTIC ACID, CHLORIDE ION, ...
Authors:Nandi, S, Dey, M.
Deposit date:2019-12-07
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Biochemical and structural insights into how amino acids regulate pyruvate kinase muscle isoform 2.
J.Biol.Chem., 295, 2020
4O1A
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BU of 4o1a by Molmil
The crystal structure of the mutant NAMPT G217R
Descriptor: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
2OKD
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BU of 2okd by Molmil
High Resolution Crystal Structures of Vaccinia Virus dUTPase
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Deoxyuridine 5'-triphosphate nucleotidohydrolase
Authors:Schormann, N, Chattopadhyay, D.
Deposit date:2007-01-16
Release date:2007-05-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of vaccinia virus dUTPase and its nucleotide complexes.
Acta Crystallogr.,Sect.D, 63, 2007
3K93
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BU of 3k93 by Molmil
Crystal structure of phage related exonuclease (YP_719632.1) from HAEMOPHILUS SOMNUS 129PT at 2.15 A resolution
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-10-15
Release date:2009-11-03
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of phage related exonuclease (YP_719632.1) from HAEMOPHILUS SOMNUS 129PT at 2.15 A resolution
To be published
6JAI
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BU of 6jai by Molmil
Crystal structure of ABC transporter alpha-glycoside-binding mutant protein D118A in complex with maltose
Descriptor: 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Gogoi, P.
Deposit date:2019-01-24
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter.
Febs J., 287, 2020
7U0P
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BU of 7u0p by Molmil
SARS-Cov2 S protein structure in complex with neutralizing monoclonal antibody 002-S21F2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Patel, A, Ortlund, E.
Deposit date:2022-02-18
Release date:2022-08-10
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Structural insights for neutralization of Omicron variants BA.1, BA.2, BA.4, and BA.5 by a broadly neutralizing SARS-CoV-2 antibody.
Sci Adv, 8, 2022
1V19
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BU of 1v19 by Molmil
2-KETO-3-DEOXYGLUCONATE KINASE FROM THERMUS THERMOPHILUS
Descriptor: 1,4-DIETHYLENE DIOXIDE, 2-KETO-3-DEOXYGLUCONATE KINASE
Authors:Tahirov, T.H, Inagaki, E.
Deposit date:2004-04-12
Release date:2004-04-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of Thermus Thermophilus 2-Keto-3-Deoxygluconate Kinase: Evidence for Recognition of an Open Chain Substrate
J.Mol.Biol., 340, 2004
6GIU
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BU of 6giu by Molmil
Human IMPase with L-690330
Descriptor: GLYCEROL, Inositol monophosphatase 1, MANGANESE (II) ION, ...
Authors:Kraft, L.V, Roe, S.M.
Deposit date:2018-05-15
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Co-crystallization of human inositol monophosphatase with the lithium mimetic L-690,330.
Acta Crystallogr D Struct Biol, 74, 2018
6D20
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BU of 6d20 by Molmil
Crystal structure of Tyrosine-protein kinase receptor in complex with 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one and 5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide Inhibitors
Descriptor: 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one, 5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide, High affinity nerve growth factor receptor
Authors:Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N.
Deposit date:2018-04-12
Release date:2018-05-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors.
J. Med. Chem., 62, 2019
3AHJ
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BU of 3ahj by Molmil
H553A mutant of Phosphoketolase from Bifidobacterium Breve
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, THIAMINE DIPHOSPHATE, ...
Authors:Suzuki, R, Katayama, T, Kim, B.-J, Wakagi, T, Shoun, H, Ashida, H, Yamamoto, K, Fushinobu, S.
Deposit date:2010-04-22
Release date:2010-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of phosphoketolase: thiamine diphosphate-dependent dehydration mechanism
J.Biol.Chem., 285, 2010
6MH4
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BU of 6mh4 by Molmil
Crystal Structure of 1-deoxy-D-xylulose-5-phosphate reductoisomerase from Staphylococcus schleiferi, Apoenzyme
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, SULFATE ION
Authors:Lee, S.G, Jez, J.M.
Deposit date:2018-09-17
Release date:2020-03-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Potent, specific MEPicides for treatment of zoonotic staphylococci.
Plos Pathog., 16, 2020
6RY5
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BU of 6ry5 by Molmil
Crystal structure of Dfg5 from Chaetomium thermophilum in complex with alpha-1,6-mannobiose
Descriptor: CALCIUM ION, Mannan endo-1,6-alpha-mannosidase, TRIETHYLENE GLYCOL, ...
Authors:Essen, L.-O, Vogt, M.S.
Deposit date:2019-06-10
Release date:2020-08-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural base for the transfer of GPI-anchored glycoproteins into fungal cell walls.
Proc.Natl.Acad.Sci.USA, 117, 2020
2AMN
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BU of 2amn by Molmil
Solution structure of Fowlicidin-1, a novel Cathelicidin antimicrobial peptide from chicken
Descriptor: cathelicidin
Authors:Xiao, Y, Dai, H, Bommineni, Y.R, Prakash, O, Zhang, G.
Deposit date:2005-08-09
Release date:2006-07-18
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structure-activity relationships of fowlicidin-1, a cathelicidin antimicrobial peptide in chicken.
Febs J., 273, 2006
4GR6
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BU of 4gr6 by Molmil
Crystal structure of AtRbcX2 from Arabidopsis thaliana
Descriptor: 1,2-ETHANEDIOL, AtRbcX2
Authors:Grudnik, P, Golik, P, Kolesinski, P, Dubin, G, Szczepaniak, A.
Deposit date:2012-08-24
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights into eukaryotic Rubisco assembly - Crystal structures of RbcX chaperones from Arabidopsis thaliana.
Biochim.Biophys.Acta, 1830, 2013
6MM7
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BU of 6mm7 by Molmil
Catalytic subunit of cAMP-dependent protein kinase A in complex with RyR2 K2879A, S2813D phosphomimetic (2699-2904) crystal form 1
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
Authors:van Petegem, F, Haji-Ghassemi, O.
Deposit date:2018-09-29
Release date:2019-05-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:cAMP-dependent protein kinase A in complex with RyR2 peptide (2799-2810)
Mol.Cell, 2019

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数据于2025-10-08公开中

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