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4MFZ
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The crystal structure of acyltransferase in complex with decanoyl-CoA
Descriptor: Dbv8 protein, SODIUM ION, SULFATE ION, ...
Authors:Lyu, S.Y, Liu, Y.C, Chang, C.Y, Huang, C.J, Li, T.L.
Deposit date:2013-08-28
Release date:2014-09-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
6TGG
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BU of 6tgg by Molmil
scFv-1SM3 in complex with glycopeptide containing an sp2-imino sugar
Descriptor: 1,2-ETHANEDIOL, Mucin-1, ScFv_SM3, ...
Authors:Bermejo, I.A, Navo, C.D, Castro-Lopez, J, Samchez-Fernandez, E.M, Guerreiro, A, Avenoza, A, Busto, J.H, Garcia-Martin, F, Nishimura, S.I, Garcia-Fernandez, J.M, Ortiz-Mellet, C, Bernardes, G.J.L, Hurtado-Guerrero, R, Peregrina, J.M, Corzana, F.
Deposit date:2019-11-15
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis, conformational analysis and in vivo assays of an anti-cancer vaccine that features an unnatural antigen based on an sp 2 -iminosugar fragment.
Chem Sci, 11, 2020
4IO3
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BU of 4io3 by Molmil
Crystal Structure of the AvGluR1 ligand binding domain complex with aspartate at 1.66 Angstrom resolution
Descriptor: ASPARTIC ACID, AvGluR1 ligand binding domain, CHLORIDE ION
Authors:Lomash, S, Chittori, S, Mayer, M.L.
Deposit date:2013-01-07
Release date:2013-02-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Anions Mediate Ligand Binding in Adineta vaga Glutamate Receptor Ion Channels.
Structure, 21, 2013
4IQ6
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BU of 4iq6 by Molmil
Gsk-3beta with inhibitor 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
Descriptor: 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine, Glycogen synthase kinase-3 beta
Authors:Tong, Y, Stewart, K.D, Florjancic, A.S, Harlan, J.E, Merta, P.J, Przytulinska, M, Soni, N, Swinger, K.S, Zhu, H, Johnson, E.F, Shoemaker, A.R, Penning, T.D.
Deposit date:2013-01-10
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Azaindole-Based Inhibitors of Cdc7 Kinase: Impact of the Pre-DFG Residue, Val 195.
ACS Med Chem Lett, 4, 2013
6TCG
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BU of 6tcg by Molmil
2'-F-riboguanosine and 2'-F-arabinoguanosine modified G-quadruplex with V-loop and all-syn G-tract
Descriptor: DNA (5'-D(*GP*GP*GP*AP*TP*GP*GP*GP*AP*CP*AP*CP*AP*(GF2)P*(GFL)P*GP*GP*AP*CP*GP*GP*G)-3')
Authors:Haase, L, Weisz, K.
Deposit date:2019-11-06
Release date:2020-03-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Switching the type of V-loop in sugar-modified G-quadruplexes through altered fluorine interactions.
Chem.Commun.(Camb.), 56, 2020
6JUR
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BU of 6jur by Molmil
MsDpo4-DNA complex 5
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, DNA (5'-D(*TP*CP*TP*GP*GP*GP*GP*TP*CP*CP*TP*A)-3'), DNA polymerase IV, ...
Authors:Nair, D.T, Johnson, M.K.
Deposit date:2019-04-15
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:A polar filter in DNA polymerases prevents ribonucleotide incorporation.
Nucleic Acids Res., 47, 2019
6T6A
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BU of 6t6a by Molmil
Crystal structure of DYRK1A complexed with KuFal319 (compound 11)
Descriptor: 4-chloranyl-5~{H}-cyclohepta[b]indol-10-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ...
Authors:Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-10-18
Release date:2019-12-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:[ b ]-Annulated Halogen-Substituted Indoles as Potential DYRK1A Inhibitors.
Molecules, 24, 2019
4MDR
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BU of 4mdr by Molmil
Crystal structure of adaptor protein complex 4 (AP-4) mu4 subunit C-terminal domain D190A mutant, in complex with a sorting peptide from the amyloid precursor protein (APP)
Descriptor: AP-4 complex subunit mu-1, Amyloid beta A4 protein
Authors:Ross, B.H, Lin, Y, Corales, E.A, Burgos, P.V, Mardones, G.A.
Deposit date:2013-08-23
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Functional Characterization of Cargo-Binding Sites on the mu 4-Subunit of Adaptor Protein Complex 4.
Plos One, 9, 2014
4J1J
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BU of 4j1j by Molmil
Leanyer orthobunyavirus nucleoprotein-ssDNA complex
Descriptor: DNA (5'-D(P*AP*CP*CP*AP*AP*AP*CP*AP*AP*CP*CP*CP*AP*CP*CP*CP*A)-3'), Nucleocapsid
Authors:Niu, F, Shaw, N, Wang, Y, Jiao, L, Ding, W, Li, X, Zhu, P, Upur, H, Ouyang, S, Cheng, G, Liu, Z.J.
Deposit date:2013-02-01
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of the Leanyer orthobunyavirus nucleoprotein-RNA complex reveals unique architecture for RNA encapsidation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4MFP
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BU of 4mfp by Molmil
The crystal structure of acyltransferase in complex with decanoyl-CoA and Tei pseudoaglycone
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose, COENZYME A, ...
Authors:Lyu, S.Y, Liu, Y.C, Chang, C.Y, Huang, C.J, Li, T.L.
Deposit date:2013-08-28
Release date:2014-09-03
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
4QX8
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BU of 4qx8 by Molmil
Crystal structure of histone demethylase kdm2a-h3k36me3 complex with alpha-kg
Descriptor: 2-OXOGLUTARIC ACID, Histone H3.2, Lysine-specific demethylase 2A, ...
Authors:Cheng, Z.J, Patel, D.J.
Deposit date:2014-07-19
Release date:2014-11-05
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A molecular threading mechanism underlies Jumonji lysine demethylase KDM2A regulation of methylated H3K36.
Genes Dev., 28, 2014
4JFO
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BU of 4jfo by Molmil
A2 HLA complex with E1A heteroclitic variant of Melanoma peptide
Descriptor: Beta-2-microglobulin, E1A heteroclitic Melanoma peptide, GLYCEROL, ...
Authors:Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K, Baker, B.M.
Deposit date:2013-02-28
Release date:2013-05-29
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:T-cell receptor specificity maintained by altered thermodynamics.
J.Biol.Chem., 288, 2013
6K2C
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BU of 6k2c by Molmil
Extended Hect domain of UBE3C E3 Ligase
Descriptor: Ubiquitin-protein ligase E3C
Authors:Sivaraman, J, Singh, S.
Deposit date:2019-05-14
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Crystal structure of HECT domain of UBE3C E3 ligase and its ubiquitination activity.
Biochem.J., 477, 2020
4LGV
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BU of 4lgv by Molmil
X-ray crystal structure of Glucose-6-phosphate 1-dehydrogenase from Mycobacterium avium
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-06-28
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4JFD
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BU of 4jfd by Molmil
Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K.
Deposit date:2013-02-28
Release date:2013-05-29
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:T-cell receptor specificity maintained by altered thermodynamics.
J.Biol.Chem., 288, 2013
4R5J
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BU of 4r5j by Molmil
Crystal structure of the DnaK C-terminus (Dnak-SBD-A)
Descriptor: CALCIUM ION, Chaperone protein DnaK, PHOSPHATE ION
Authors:Leu, J.I, Zhang, P, Murphy, M.E, Marmorstein, R, George, D.L.
Deposit date:2014-08-21
Release date:2014-09-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.361 Å)
Cite:Structural Basis for the Inhibition of HSP70 and DnaK Chaperones by Small-Molecule Targeting of a C-Terminal Allosteric Pocket.
Acs Chem.Biol., 9, 2014
4LCO
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BU of 4lco by Molmil
Crystal structure of NE0047 with complex with substrate ammeline
Descriptor: 4,6-diamino-1,3,5-triazin-2-ol, Cytidine and deoxycytidylate deaminase zinc-binding region, ZINC ION
Authors:Bitra, A, Biswas, A, Anand, R.
Deposit date:2013-06-22
Release date:2014-01-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of the substrate specificity of cytidine deaminase superfamily Guanine deaminase
Biochemistry, 52, 2013
4JNZ
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BU of 4jnz by Molmil
Crystal structure of PutA86-630 mutant D370N complexed with L-Tetrahydro-2-furoic acid
Descriptor: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, PENTAETHYLENE GLYCOL, ...
Authors:Tanner, J.J.
Deposit date:2013-03-16
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Involvement of the beta 3-alpha 3 Loop of the Proline Dehydrogenase Domain in Allosteric Regulation of Membrane Association of Proline Utilization A.
Biochemistry, 52, 2013
4LCW
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BU of 4lcw by Molmil
The structure of human MAIT TCR in complex with MR1-K43A-RL-6-Me-7OH
Descriptor: 1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
Authors:Patel, O, Rossjohn, J.
Deposit date:2013-06-24
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Antigen-loaded MR1 tetramers define T cell receptor heterogeneity in mucosal-associated invariant T cells.
J.Exp.Med., 210, 2013
6TGZ
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BU of 6tgz by Molmil
IE1 from human cytomegalovirus
Descriptor: 55 kDa immediate-early protein 1
Authors:Schweininger, J, Muller, Y.A.
Deposit date:2019-11-18
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Cytomegalovirus immediate-early 1 proteins form a structurally distinct protein class with adaptations determining cross-species barriers.
Plos Pathog., 17, 2021
4QRQ
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BU of 4qrq by Molmil
Crystal Structure of HLA B*0801 in complex with HSKKKCDEL
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-8 alpha chain, ...
Authors:Gras, S, Berry, R, Lucet, I.S, Rossjohn, J.
Deposit date:2014-07-02
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:An Extensive Antigenic Footprint Underpins Immunodominant TCR Adaptability against a Hypervariable Viral Determinant.
J.Immunol., 193, 2014
4N7I
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BU of 4n7i by Molmil
Crystal Structure of Intracellular B30.2 Domain of BTN3A1
Descriptor: BETA-MERCAPTOETHANOL, Butyrophilin subfamily 3 member A1, CHLORIDE ION, ...
Authors:Sandstrom, A, Adams, E.J.
Deposit date:2013-10-15
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4015 Å)
Cite:The Intracellular B30.2 Domain of Butyrophilin 3A1 Binds Phosphoantigens to Mediate Activation of Human V gamma 9V delta 2 T Cells.
Immunity, 40, 2014
3BB1
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BU of 3bb1 by Molmil
Crystal structure of Toc34 from Pisum sativum in complex with Mg2+ and GMPPNP
Descriptor: GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Koenig, P, Sinning, I, Schleiff, E, Tews, I.
Deposit date:2007-11-09
Release date:2008-04-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The GTPase cycle of the chloroplast import receptors Toc33/Toc34: implications from monomeric and dimeric structures.
Structure, 16, 2008
6HHE
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BU of 6hhe by Molmil
Crystal structure of the medfly Odorant Binding Protein CcapOBP22/CcapOBP69a
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Odorant binding protein OBP69a, SULFATE ION
Authors:Falchetto, M, Ciossani, G, Nenci, S, Mattevi, A, Gasperi, G, Forneris, F.
Deposit date:2018-08-28
Release date:2018-12-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.516 Å)
Cite:Structural and biochemical evaluation of Ceratitis capitata odorant-binding protein 22 affinity for odorants involved in intersex communication.
Insect Mol.Biol., 28, 2019
4NN6
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BU of 4nn6 by Molmil
Cytokine receptor complex - Crystal form 1B
Descriptor: Cytokine receptor-like factor 2, Interleukin-7 receptor subunit alpha, Thymic stromal lymphopoietin
Authors:Verstraete, K, van Schie, L, Savvides, S.N.
Deposit date:2013-11-16
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.545 Å)
Cite:Structural basis of the proinflammatory signaling complex mediated by TSLP.
Nat.Struct.Mol.Biol., 21, 2014

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数据于2024-07-17公开中

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