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5FFJ
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BU of 5ffj by Molmil
Structure of a nuclease-deletion mutant of the Type ISP restriction-modification enzyme LlaGI in complex with a DNA substrate mimic
Descriptor: DNA (5'-D(P*TP*AP*GP*CP*TP*AP*AP*TP*AP*GP*AP*CP*TP*GP*GP*AP*TP*GP*GP*AP*GP*G)-3'), DNA (5'-D(P*TP*CP*CP*TP*CP*CP*AP*TP*CP*CP*AP*GP*TP*CP*TP*AP*TP*TP*AP*GP*CP*T)-3'), Endonuclease and methylase LlaGI
Authors:Saikrishnan, K, Kulkarni, M, Nirwan, N.
Deposit date:2015-12-18
Release date:2016-03-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Structural insights into DNA sequence recognition by Type ISP restriction-modification enzymes
Nucleic Acids Res., 44, 2016
6POB
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BU of 6pob by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(thiazol-4-ylmethoxy)phenyl)-4-methylquinolin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2019-07-03
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
6N2A
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BU of 6n2a by Molmil
Meso-Diaminopimelate Decarboxylase from Arabidopsis thaliana (Isoform 1)
Descriptor: Diaminopimelate decarboxylase 1, chloroplastic, LYSINE, ...
Authors:Crowther, J.M, Dobson, R.C.J.
Deposit date:2018-11-12
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Active site gating provides stereochemical control for meso-diaminopimelate decarboxylase
To Be Published
6V7L
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BU of 6v7l by Molmil
The structure of the P212121 crystal form of canavalin at 173 K
Descriptor: BENZOIC ACID, Canavalin
Authors:McPherson, A.
Deposit date:2019-12-08
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding of benzoic acid and anions within the cupin domains of the vicilin protein canavalin from jack bean (Canavalia ensiformis): Crystal structures.
Biochem.Biophys.Res.Commun., 524, 2020
6YGF
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BU of 6ygf by Molmil
NADase from Aspergillus fumigatus with trapped reaction products
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, AfNADase, ...
Authors:Stromland, O, Ziegler, M, Kallio, J.P.
Deposit date:2020-03-27
Release date:2020-12-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of fungal surface NADases predominantly present in pathogenic species.
Nat Commun, 12, 2021
5EDL
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BU of 5edl by Molmil
Crystal structure of an S-component of ECF transporter
Descriptor: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, Putative HMP/thiamine permease protein YkoE, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
Authors:Josts, I, Tidow, H.
Deposit date:2015-10-21
Release date:2016-08-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of a Group I Energy Coupling Factor Vitamin Transporter S Component in Complex with Its Cognate Substrate.
Cell Chem Biol, 23, 2016
8ONX
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BU of 8onx by Molmil
High resolution structure of Chaetomium thermophilum MAP2
Descriptor: MANGANESE (II) ION, Methionine aminopeptidase 2
Authors:Klein, M.A, Wild, K, Kisonaite, M, Sinning, I.
Deposit date:2023-04-04
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Methionine aminopeptidase 2 and its autoproteolysis product have different binding sites on the ribosome.
Nat Commun, 15, 2024
5L6H
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BU of 5l6h by Molmil
Uba1 in complex with Ub-ABPA3 covalent adduct
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Misra, M, Schindelin, H.
Deposit date:2016-05-30
Release date:2017-06-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Dissecting the Specificity of Adenosyl Sulfamate Inhibitors Targeting the Ubiquitin-Activating Enzyme.
Structure, 25, 2017
6G33
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BU of 6g33 by Molmil
Crystal structure of CLK1 in complex with 5-iodotubercidin
Descriptor: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Dual specificity protein kinase CLK1, IODIDE ION, ...
Authors:Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-03-24
Release date:2018-04-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.
Angew. Chem. Int. Ed. Engl., 57, 2018
6POU
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BU of 6pou by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(4-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine, GADOLINIUM ATOM, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2019-07-05
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
6G3D
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BU of 6g3d by Molmil
Crystal structure of Native EDDS lyase
Descriptor: Argininosuccinate lyase
Authors:Poddar, H, Thunnissem, A.M.W.H, Poelarends, G.J.
Deposit date:2018-03-25
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.221 Å)
Cite:Structural Basis for the Catalytic Mechanism of Ethylenediamine- N, N'-disuccinic Acid Lyase, a Carbon-Nitrogen Bond-Forming Enzyme with a Broad Substrate Scope.
Biochemistry, 57, 2018
6YOM
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BU of 6yom by Molmil
Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dATP, dCMPNPP, Mn and Mg
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A.
Deposit date:2020-04-14
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
5FGS
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BU of 5fgs by Molmil
Crystal structure of C-terminal domain of shaft pilin spaA from Lactobacillus rhamnosus GG - P21212 space group
Descriptor: Cell surface protein SpaA, ZINC ION
Authors:Chaurasia, P, Pratap, S, von Ossowski, I, Palva, A, Krishnan, V.
Deposit date:2015-12-21
Release date:2016-07-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:New insights about pilus formation in gut-adapted Lactobacillus rhamnosus GG from the crystal structure of the SpaA backbone-pilin subunit
Sci Rep, 6, 2016
8OGE
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BU of 8oge by Molmil
Structure of cobalt(II) substituted double mutant human carbonic anhydrase II bound to thiocyanate
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, COBALT (II) ION, Carbonic anhydrase 2, ...
Authors:Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C.
Deposit date:2023-03-20
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase.
J.Inorg.Biochem., 244, 2023
6YP3
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BU of 6yp3 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-028
Descriptor: 1-(4-methylphenyl)-1,2,4-triazole, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-15
Release date:2020-09-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6G3J
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BU of 6g3j by Molmil
MHC A02 Allele presenting MTSAIGILVP
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Rizkallah, P.J, Sewell, A.K.
Deposit date:2018-03-26
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Peptide Super-Agonist Enhances T-Cell Responses to Melanoma.
Front Immunol, 10, 2019
5UEM
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BU of 5uem by Molmil
Crystal structure of 354NC37 Fab in complex with HIV-1 clade AE strain 93TH057 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 354NC37 Fab Heavy Chain, ...
Authors:Sievers, S.A, Gristick, H.B, Bjorkman, P.J.
Deposit date:2017-01-02
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Coexistence of potent HIV-1 broadly neutralizing antibodies and antibody-sensitive viruses in a viremic controller.
Sci Transl Med, 9, 2017
6V43
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BU of 6v43 by Molmil
Crystal structure of the flavin oxygenase with cofactor and substrate bound involved in folate catabolism
Descriptor: FAD/FMN-containing dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, pteridine-2,4(1H,3H)-dione
Authors:Begley, T.P, Adak, S, Zhao, B, Li, P.
Deposit date:2019-11-27
Release date:2020-12-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:A novel flavoenzyme catalyzed Baeyer-Villiger type rearrangement in bacterial folic acid catabolic pathway
To Be Published
5DPS
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BU of 5dps by Molmil
Crystal structure of PLEKHM1 LIR-fused human GABARAP_2-117
Descriptor: Pleckstrin homology domain-containing family M member 1,Gamma-aminobutyric acid receptor-associated protein
Authors:Ravichandran, A.C, Suzuki, H, Dobson, R.C.J.
Deposit date:2015-09-14
Release date:2016-09-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional analysis of the GABARAP interaction motif (GIM).
EMBO Rep., 18, 2017
5FGZ
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BU of 5fgz by Molmil
E. coli PBP1b in complex with FPI-1465
Descriptor: MOENOMYCIN, Penicillin-binding protein 1B, [[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate
Authors:King, D.T, Strynadka, N.C.J.
Deposit date:2015-12-21
Release date:2016-01-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
5FWV
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BU of 5fwv by Molmil
Wnt modulator Kremen crystal form III at 3.2A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, KREMEN PROTEIN 1
Authors:Zebisch, M, Jackson, V.A, Jones, E.Y.
Deposit date:2016-02-21
Release date:2016-07-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of the Dual-Mode Wnt Regulator Kremen1 and Insight Into Ternary Complex Formation with Lrp6 and Dickkopf
Structure, 24, 2016
5U0J
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BU of 5u0j by Molmil
C-terminal ankyrin repeats from human kidney-type glutaminase (KGA) - monoclinic crystal form
Descriptor: Glutaminase kidney isoform, mitochondrial, SODIUM ION
Authors:Pasquali, C.C, Gonzalez, A, Dias, S.M.G, Ambrosio, A.L.B.
Deposit date:2016-11-24
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The origin and evolution of human glutaminases and their atypical C-terminal ankyrin repeats.
J. Biol. Chem., 292, 2017
8OU1
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BU of 8ou1 by Molmil
Crystal structure of the SPOC domain of mouse SPOCD1
Descriptor: CITRATE ANION, SPOC domain-containing protein 1
Authors:Heep, M, Cook, A.G, O'Carroll, D.
Deposit date:2023-04-21
Release date:2024-02-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:C19ORF84 connects piRNA and DNA methylation machineries to defend the mammalian germ line.
Mol.Cell, 84, 2024
5DKQ
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BU of 5dkq by Molmil
Crystal Structure of Calcium-loaded S100B bound to SBi4214
Descriptor: 2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine, CALCIUM ION, Protein S100-B
Authors:Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J.
Deposit date:2015-09-03
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.591 Å)
Cite:Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
J.Med.Chem., 59, 2016
6YIF
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BU of 6yif by Molmil
Structure of Chromosomal Passenger Complex (CPC) bound to phosphorylated Histone 3 peptide at 1.8 A.
Descriptor: Baculoviral IAP repeat-containing protein 5, Borealin, Inner centromere protein, ...
Authors:Serena, M, Elliott, P.R, Barr, F.A.
Deposit date:2020-04-01
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Molecular basis of MKLP2-dependent Aurora B transport from chromatin to the anaphase central spindle.
J.Cell Biol., 219, 2020

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數據於2024-11-06公開中

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