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7KF4
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Crystal structure from SARS-CoV-2 NendoU NSP15
分子名称: CITRIC ACID, Uridylate-specific endoribonuclease
著者Godoy, A.S, Nakamura, A.M, Pereira, H.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliveira, K.I.Z, Oliva, G.
登録日2020-10-13
公開日2020-12-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
7MDH
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BU of 7mdh by Molmil
STRUCTURAL BASIS FOR LIGHT ACITVATION OF A CHLOROPLAST ENZYME. THE STRUCTURE OF SORGHUM NADP-MALATE DEHYDROGENASE IN ITS OXIDIZED FORM
分子名称: PROTEIN (MALATE DEHYDROGENASE), ZINC ION
著者Johansson, K, Ramaswamy, S, Saarinen, M, Lemaire-Chamley, M, Issakidis-Bourguet, E, Miginiac-Maslow, M, Eklund, H.
登録日1999-02-16
公開日1999-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for light activation of a chloroplast enzyme: the structure of sorghum NADP-malate dehydrogenase in its oxidized form.
Biochemistry, 38, 1999
7KEH
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BU of 7keh by Molmil
Crystal structure from SARS-CoV-2 NendoU NSP15
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Uridylate-specific endoribonuclease
著者Godoy, A.S, Nakamura, A.M, Pereira, H.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliveira, K.I.Z, Oliva, G.
登録日2020-10-10
公開日2020-12-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
2PU5
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Crystal Structure of a C-C bond hydrolase, BphD, from Burkholderia xenovorans LB400
分子名称: 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION
著者Bhowmik, S, Bolin, J.T.
登録日2007-05-08
公開日2007-05-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Tautomeric Half-reaction of BphD, a C-C Bond Hydrolase: KINETIC AND STRUCTURAL EVIDENCE SUPPORTING A KEY ROLE FOR HISTIDINE 265 OF THE CATALYTIC TRIAD.
J.Biol.Chem., 282, 2007
2PUH
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Crystal Structure of the S112A mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, in complex with its substrate HOPDA
分子名称: (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE, 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION, ...
著者Bhowmik, S, Bolin, J.T.
登録日2007-05-09
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献The Tautomeric Half-reaction of BphD, a C-C Bond Hydrolase: KINETIC AND STRUCTURAL EVIDENCE SUPPORTING A KEY ROLE FOR HISTIDINE 265 OF THE CATALYTIC TRIAD.
J.Biol.Chem., 282, 2007
2PU7
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BU of 2pu7 by Molmil
Crystal Structure of S112A/H265A double mutant of a C-C hydrolase, BphD, from Burkholderia xenovorans LB400
分子名称: 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION, SODIUM ION
著者Bhowmik, S, Bolin, J.T.
登録日2007-05-08
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The Tautomeric Half-reaction of BphD, a C-C Bond Hydrolase: KINETIC AND STRUCTURAL EVIDENCE SUPPORTING A KEY ROLE FOR HISTIDINE 265 OF THE CATALYTIC TRIAD.
J.Biol.Chem., 282, 2007
2PUJ
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Crystal Structure of the S112A/H265A double mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, in complex with its substrate HOPDA
分子名称: (2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID, 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION, ...
著者Bhowmik, S, Bolin, J.T.
登録日2007-05-09
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献The Tautomeric Half-reaction of BphD, a C-C Bond Hydrolase: KINETIC AND STRUCTURAL EVIDENCE SUPPORTING A KEY ROLE FOR HISTIDINE 265 OF THE CATALYTIC TRIAD.
J.Biol.Chem., 282, 2007
7ZA4
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GSTF sh155 mutant
分子名称: Glutathione transferase, SODIUM ION
著者Papageorgiou, A.C.
登録日2022-03-22
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Directed Evolution of Phi Class Glutathione Transferases Involved in Multiple-Herbicide Resistance of Grass Weeds and Crops.
Int J Mol Sci, 23, 2022
7R1O
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BU of 7r1o by Molmil
p62-ZZ domain of the human sequestosome in complex with dusquetide
分子名称: Dusquetide, Sequestosome-1, ZINC ION
著者Hakansson, M, Hansson, M, Logan, D.T, Rozek, A, Donini, O.
登録日2022-02-03
公開日2022-05-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Dusquetide modulates innate immune response through binding to p62.
Structure, 30, 2022
7R4A
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PARP15 catalytic domain in complex with OUL188
分子名称: 6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
著者Murthy, S, Maksimainen, M.M, Lehtio, L.
登録日2022-02-08
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献[1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
J.Med.Chem., 66, 2023
6EKO
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BU of 6eko by Molmil
Crystal structure of Type IIP restriction endonuclease PfoI with cognate DNA
分子名称: CALCIUM ION, DNA (5'-D(*CP*GP*CP*TP*CP*CP*CP*GP*GP*AP*GP*CP*GP*T)-3'), Restriction endonuclease PfoI
著者Tamulaitiene, G, Manakova, E, Jovaisaite, V, Grazulis, S, Siksnys, V.
登録日2017-09-26
公開日2018-10-10
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2.284 Å)
主引用文献Unique mechanism of target recognition by PfoI restriction endonuclease of the CCGG-family.
Nucleic Acids Res., 47, 2019
6EOG
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Human galectin-3c in complex with a galactose derivative
分子名称: (2~{S},3~{R},4~{S},5~{R},6~{R})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, Galectin-3, ...
著者Hakansson, M, Nilsson, U.J, Zetterberg, F, Logan, D.T.
登録日2017-10-09
公開日2018-08-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Monosaccharide Derivatives with Low-Nanomolar Lectin Affinity and High Selectivity Based on Combined Fluorine-Amide, Phenyl-Arginine, Sulfur-pi , and Halogen Bond Interactions.
ChemMedChem, 13, 2018
5BUU
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BU of 5buu by Molmil
Crystal structure of the GluA2 ligand-binding domain (L483Y-N754S) in complex with glutamate and BPAM-321 at 2.07 A resolution
分子名称: (3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, 1,2-ETHANEDIOL, GLUTAMIC ACID, ...
著者Larsen, A.P, Tapken, D, Frydenvang, K, Kastrup, J.S.
登録日2015-06-04
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Synthesis and Pharmacology of Mono-, Di-, and Trialkyl-Substituted 7-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides Combined with X-ray Structure Analysis to Understand the Unexpected Structure-Activity Relationship at AMPA Receptors.
Acs Chem Neurosci, 7, 2016
5AML
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BU of 5aml by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-(But-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid
分子名称: 2-(BUT-2-YN-1-YLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-03-10
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
5AMG
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BU of 5amg by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-(Pentylsulfamoyl)-4-sulfamoylbenzoic acid
分子名称: 2-(PENTYLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-03-10
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
5BWY
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BU of 5bwy by Molmil
Structure of proplasmepsin II from Plasmodium falciparum, Space Group P43212
分子名称: Plasmepsin-2
著者Recacha, R, Akopjana, I, Tars, K, Jaudzems, K.
登録日2015-06-08
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.644 Å)
主引用文献Crystal structure of Plasmodium falciparum proplasmepsin IV: the plasticity of proplasmepsins.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5CC2
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BU of 5cc2 by Molmil
STRUCTURE OF THE LIGAND-BINDING DOMAIN OF THE IONOTROPIC GLUTAMATE RECEPTOR-LIKE GLUD2 IN COMPLEX WITH 7-CKA
分子名称: 7-Chlorokynurenic acid, CHLORIDE ION, GLYCEROL, ...
著者Naur, P, Gajhede, M, Kastrup, J.S.
登録日2015-07-01
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Pharmacology and Structural Analysis of Ligand Binding to the Orthosteric Site of Glutamate-Like GluD2 Receptors.
Mol.Pharmacol., 89, 2016
5CBS
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BU of 5cbs by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the antagonist (R)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid at 1.8A resolution
分子名称: (R)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Frydenvang, K, Kastrup, J.S.
登録日2015-07-01
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Studies on Aryl-Substituted Phenylalanines: Synthesis, Activity, and Different Binding Modes at AMPA Receptors.
J.Med.Chem., 59, 2016
7A7B
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BU of 7a7b by Molmil
Bacillithiol Disulfide Reductase Bdr (YpdA) from Staphylococcus aureus
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, YpdA family putative bacillithiol disulfide reductase Bdr
著者Hammerstad, M, Hersleth, H.-P.
登録日2020-08-27
公開日2020-12-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Crystal Structures of Bacillithiol Disulfide Reductase Bdr (YpdA) Provide Structural and Functional Insight into a New Type of FAD-Containing NADPH-Dependent Oxidoreductase.
Biochemistry, 59, 2020
7AED
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BU of 7aed by Molmil
VirB8 domain of PrgL from Enterococcus faecalis pCF10
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PrgL
著者Jaeger, F, Berntsson, R.P.A.
登録日2020-09-17
公開日2020-11-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.753 Å)
主引用文献Structure of the enterococcal T4SS protein PrgL reveals unique dimerization interface in the VirB8 protein family.
Structure, 30, 2022
6ZT8
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X-ray structure of mutated arabinofuranosidase
分子名称: Alpha-L-arabinofuranosidase, CHLORIDE ION, PENTAETHYLENE GLYCOL, ...
著者Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R.
登録日2020-07-17
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase.
N Biotechnol, 62, 2021
6ZT6
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X-ray structure of mutated arabinofuranosidase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-L-arabinofuranosidase
著者Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R.
登録日2020-07-17
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase.
N Biotechnol, 62, 2021
7A10
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LppS with covalent adduct derived from 1g
分子名称: 4-methoxycyclohexa-2,5-diene-1-thione, L,D-transpeptidase 2
著者Schnell, R, Steiner, E.M.
登録日2020-08-11
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
7A0Z
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LppS with covalent adduct derived from 1b
分子名称: L,D-transpeptidase 2, TRIS(HYDROXYETHYL)AMINOMETHANE, benzenethiol
著者Schnell, R, Steiner, E.M.
登録日2020-08-11
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
7A1C
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LdtMT2 with covalent adduct derived from N-Thio-beta-lactam 1a
分子名称: DIMETHYL SULFOXIDE, L,D-transpeptidase 2
著者Schnell, R, Steiner, E.M.
登録日2020-08-12
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021

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