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7D2A
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BU of 7d2a by Molmil
CBM32 of AlyQ in complex with 4,5-unsaturated mannuronic acid
Descriptor: 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid, AlyQ, CALCIUM ION, ...
Authors:Teh, A.H, Sim, P.F.
Deposit date:2020-09-16
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural basis for binding uronic acids by family 32 carbohydrate-binding modules.
Biochem.Biophys.Res.Commun., 533, 2020
4ZJJ
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BU of 4zjj by Molmil
PAK1 in complex with (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide
Descriptor: (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide, MAGNESIUM ION, Serine/threonine-protein kinase PAK 1
Authors:Gutmann, S, Rummel, G.
Deposit date:2015-04-29
Release date:2015-06-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
3F34
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BU of 3f34 by Molmil
Apoferritin: complex with 2,6-diethylphenol
Descriptor: 2,6-diethylphenol, ACETATE ION, CADMIUM ION, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
2Q8D
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BU of 2q8d by Molmil
Crystal structure of JMJ2D2A in ternary complex with histone H3-K36me2 and succinate
Descriptor: HISTONE 3 peptide, JmjC domain-containing histone demethylation protein 3A, NICKEL (II) ION, ...
Authors:Couture, J.-F, Collazo, E, Ortiz-Tello, P, Brunzelle, J.S, Trievel, R.C.
Deposit date:2007-06-10
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Specificity and mechanism of JMJD2A, a trimethyllysine-specific histone demethylase.
Nat.Struct.Mol.Biol., 14, 2007
2Q9I
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BU of 2q9i by Molmil
Crystal Structure of D-Dimer from Human Fibrin Complexed with Met-His-Arg-Pro-Tyr-amide.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fibrin B Knob (GHRPam), ...
Authors:Doolittle, R.F, Pandi, L.
Deposit date:2007-06-12
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Probing the beta-chain hole of fibrinogen with synthetic peptides that differ at their amino termini
Biochemistry, 46, 2007
3PJ0
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BU of 3pj0 by Molmil
Crystal structure of a putative L-allo-threonine aldolase (lmo0305) from Listeria monocytogenes EGD-E at 1.80 A resolution
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-11-08
Release date:2010-11-24
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a putative L-allo-threonine aldolase (lmo0305) from Listeria monocytogenes EGD-E at 1.80 A resolution
To be published
5XDM
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BU of 5xdm by Molmil
Structure of the C-terminal domain of E. coli MinC at 3.0 angstrom resolution
Descriptor: Septum site-determining protein MinC
Authors:Zheng, J, Shen, Q, Yang, S.
Deposit date:2017-03-28
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.004 Å)
Cite:Characterization of C-terminal structure of MinC and its implication in evolution of bacterial cell division
Sci Rep, 7, 2017
3NEW
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BU of 3new by Molmil
p38-alpha complexed with Compound 10
Descriptor: 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14
Authors:Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D.
Deposit date:2010-06-09
Release date:2010-12-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases.
Acs Chem.Biol., 6, 2011
3NFK
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BU of 3nfk by Molmil
Crystal structure of the PTPN4 PDZ domain complexed with the C-terminus of a rabies virus G protein
Descriptor: GLYCEROL, Glycoprotein G, Tyrosine-protein phosphatase non-receptor type 4
Authors:Babault, N, Cordier, F, Lafage, M, Cockburn, J, Haouz, A, Rey, F.A, Delepierre, M, Buc, H, Lafon, M, Wolff, N.
Deposit date:2010-06-10
Release date:2011-08-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Peptides Targeting the PDZ Domain of PTPN4 Are Efficient Inducers of Glioblastoma Cell Death.
Structure, 19, 2011
5HZB
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BU of 5hzb by Molmil
Crystal structure of GII.10 P domain in complex with 2-fucosyllactose (2'FL)
Descriptor: 1,2-ETHANEDIOL, Capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Hansman, G.S, Koromyslova, A.D, Singh, B.K.S.
Deposit date:2016-02-02
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.553 Å)
Cite:Structural Basis for Norovirus Inhibition by Human Milk Oligosaccharides.
J.Virol., 90, 2016
3NFL
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BU of 3nfl by Molmil
Crystal structure of the PTPN4 PDZ domain complexed with the C-terminus of the GluN2A NMDA receptor subunit
Descriptor: Glutamate [NMDA] receptor subunit epsilon-1, Tyrosine-protein phosphatase non-receptor type 4
Authors:Babault, N, Cordier, F, Lafage, M, Cockburn, J, Haouz, A, Rey, F.A, Delepierre, M, Buc, H, Lafon, M, Wolff, N.
Deposit date:2010-06-10
Release date:2011-08-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Peptides Targeting the PDZ Domain of PTPN4 Are Efficient Inducers of Glioblastoma Cell Death.
Structure, 19, 2011
3NJD
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BU of 3njd by Molmil
Crystal structure of enoyl-coa hydratase from mycobacterium smegmatis
Descriptor: Enoyl-CoA hydratase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-06-17
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3GPE
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BU of 3gpe by Molmil
Crystal Structure Analysis of PKC (alpha)-C2 domain complexed with Ca2+ and PtdIns(4,5)P2
Descriptor: CALCIUM ION, PHOSPHATE ION, Protein kinase C alpha type, ...
Authors:Ferrer-Orta, C, Querol-Audi, J, Fita, I, Verdaguer, N.
Deposit date:2009-03-23
Release date:2009-05-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and mechanistic insights into the association of PKCalpha-C2 domain to PtdIns(4,5)P2.
Proc.Natl.Acad.Sci.USA, 106, 2009
3H2G
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BU of 3h2g by Molmil
Crystal structure of a rice cell wall degrading esterase LipA from Xanthomonas oryzae
Descriptor: esterase
Authors:Aparna, G, Chatterjee, A, Sonti, R.V, Sankaranarayanan, R.
Deposit date:2009-04-14
Release date:2009-08-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:A Cell Wall-Degrading Esterase of Xanthomonas oryzae Requires a Unique Substrate Recognition Module for Pathogenesis on Rice
Plant Cell, 21, 2009
2OJM
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BU of 2ojm by Molmil
Solution structure and cell selectivity of Piscidin 1 and its analogues
Descriptor: Moronecidin
Authors:Lee, S.A, Kim, Y.K, Kim, Y.
Deposit date:2007-01-12
Release date:2007-11-27
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure and cell selectivity of piscidin 1 and its analogues.
Biochemistry, 46, 2007
5HEZ
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BU of 5hez by Molmil
JAK2 kinase (JH1 domain) mutant P1057A in complex with TG101209
Descriptor: CHLORIDE ION, N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide, Tyrosine-protein kinase JAK2, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2016-01-06
Release date:2016-11-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Resolving TYK2 locus genotype-to-phenotype differences in autoimmunity.
Sci Transl Med, 8, 2016
2NTF
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BU of 2ntf by Molmil
Crystal Structure of a Quorum-Quenching Antibody in Complex with an N-Acyl-L-Homoserine Lactone Analog
Descriptor: 3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE, Murine Antibody Fab RS2-1G9 IGG1 Heavy Chain, Murine Antibody Fab RS2-1G9 Lambda Light Chain
Authors:Debler, E.W, Wilson, I.A.
Deposit date:2006-11-07
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Crystal Structures of a Quorum-quenching Antibody.
J.Mol.Biol., 368, 2007
3H81
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BU of 3h81 by Molmil
Crystal structure of enoyl-CoA hydratase from Mycobacterium tuberculosis
Descriptor: CALCIUM ION, GLYCEROL, enoyl-CoA hydratase echA8
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-04-28
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3H0L
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BU of 3h0l by Molmil
Structure of trna-dependent amidotransferase gatcab from aquifex aeolicus
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ASPARAGINE, Aspartyl/glutamyl-tRNA(Asn/Gln) amidotransferase subunit B, ...
Authors:Wu, J, Bu, W, Sheppard, K, Kitabatake, M, Soll, D, Smith, J.L.
Deposit date:2009-04-09
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insights into tRNA-Dependent Amidotransferase Evolution and Catalysis from the Structure of the Aquifex aeolicus Enzyme
J.Mol.Biol., 391, 2009
3GL6
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BU of 3gl6 by Molmil
Crystal structure of JARID1A-PHD3 complexed with H3(1-9)K4me3 peptide
Descriptor: Histone H3, Histone demethylase JARID1A, ZINC ION
Authors:Wang, Z, Song, J, Patel, D.J.
Deposit date:2009-03-11
Release date:2009-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Haematopoietic malignancies caused by dysregulation of a chromatin-binding PHD finger.
Nature, 459, 2009
3NAQ
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BU of 3naq by Molmil
Apo-form of NAD-dependent formate dehydrogenase from higher-plant Arabidopsis thaliana
Descriptor: Formate dehydrogenase, SULFATE ION
Authors:Shabalin, I.G, Polyakov, K.M, Serov, A.E, Skirgello, O.E, Sadykhov, E.G, Dorovatovskiy, P.V, Tishkov, V.I, Popov, V.O.
Deposit date:2010-06-02
Release date:2010-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of the apo and holo forms of NAD-dependent formate dehydrogenase from the higher-plant Arabidopsis Thaliana
to be published
2O05
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BU of 2o05 by Molmil
Human spermidine synthase
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Spermidine synthase
Authors:Min, J, Wu, H, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2006-11-27
Release date:2006-12-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and mechanism of spermidine synthases.
Biochemistry, 46, 2007
3Q1E
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BU of 3q1e by Molmil
Crystal structure of Y116T/I16A double mutant of 5-hydroxyisourate hydrolase in complex with T4
Descriptor: 3,5,3',5'-TETRAIODO-L-THYRONINE, 5-hydroxyisourate hydrolase
Authors:Cendron, L, Ramazzina, I, Percudani, R, Zanotti, G, Berni, R.
Deposit date:2010-12-17
Release date:2011-05-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Probing the evolution of hydroxyisourate hydrolase into transthyretin through active-site redesign.
J.Mol.Biol., 409, 2011
3Q2G
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BU of 3q2g by Molmil
Adamts1 in complex with a novel N-hydroxyformamide inhibitors
Descriptor: A disintegrin and metalloproteinase with thrombospondin motifs 1, CADMIUM ION, MAGNESIUM ION, ...
Authors:Gerhardt, S, Hargreaves, D.
Deposit date:2010-12-20
Release date:2011-03-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis
Bioorg.Med.Chem.Lett., 21, 2011
6A2L
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BU of 6a2l by Molmil
Crystal structure of quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum DHFR-TS complexed with BT1, NADPH, and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y.
Deposit date:2018-06-12
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance.
ACS Med Chem Lett, 9, 2018

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数据于2024-07-17公开中

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