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5JRR
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BU of 5jrr by Molmil
Crystal structure of native laccase from Thermus thermophilus HB27
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, ...
著者Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E.
登録日2016-05-06
公開日2017-05-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase
To be Published
4RD7
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BU of 4rd7 by Molmil
The crystal structure of a Cupin 2 conserved barrel domain protein from Salinispora arenicola CNS-205
分子名称: Cupin 2 conserved barrel domain protein, GLYCEROL, SULFATE ION
著者Tan, K, Gu, M, Clancy, S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2014-09-18
公開日2014-10-01
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.571 Å)
主引用文献The crystal structure of a Cupin 2 conserved barrel domain protein from Salinispora arenicola CNS-205
To be Published
5JSV
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BU of 5jsv by Molmil
tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-((((3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)amino)-1H-imidazo[4,5-g]quinazolin-8(7H)-one
分子名称: CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Ehrmann, F.R, Nguyen, D, Heine, A, Klebe, G.
登録日2016-05-09
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Application of carbohydrates based lin-benzoguanines in a solvent-exposed subpocket of the tRNA-modifying Enzyme TGT
To be Published
4QUR
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BU of 4qur by Molmil
Crystal Structure of stachydrine demethylase in complex with cyanide, oxygen, and N-methyl proline in a new orientation
分子名称: 1-methyl-L-proline, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COBALT HEXAMMINE(III), ...
著者Agarwal, R, Andi, B, Gizzi, A, Bonanno, J.B, Almo, S.C, Orville, A.M.
登録日2014-07-11
公開日2015-07-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.759 Å)
主引用文献Tracking photoelectron induced in-crystallo enzyme catalysis
To be Published
4QPP
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BU of 4qpp by Molmil
The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with compound DS-421 (2-{4-[3-CHLORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL]PIPERIDIN-1-YL}-N-METHYLETHANAMINE
分子名称: 2-{4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl}-N-methylethanamine, POLY-UNK, Protein arginine N-methyltransferase 6, ...
著者Dong, A, Zeng, H, Smil, D, Walker, J.R, He, H, Eram, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
登録日2014-06-24
公開日2014-08-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with compound DS-421
To be Published
5JVB
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BU of 5jvb by Molmil
1.95A resolution structure of PtxB from Trichodesmium erythraeum IMS101 in complex with phosphite
分子名称: PHOSPHONATE, Phosphonate ABC transporter, periplasmic phosphonate-binding protein
著者Bisson, C, Adams, N.B.P, Polyviou, D, Bibby, T.S, Hunter, C.N, Hitchcock, A.
登録日2016-05-11
公開日2017-11-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The molecular basis of phosphite and hypophosphite recognition by ABC-transporters.
Nat Commun, 8, 2017
8BGC
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BU of 8bgc by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with compound 2 (AA-CS-9-003)
分子名称: 5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION
著者Kraemer, A, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-10-27
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of a Potent and Selective Naphthyridine-Based Chemical Probe for Casein Kinase 2.
Acs Med.Chem.Lett., 14, 2023
5JX9
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BU of 5jx9 by Molmil
Crystal structure of laccase from Thermus thermophilus HB27 (Cu(II)-cyclophanes, 5 min)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase
著者Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E.
登録日2016-05-12
公開日2017-06-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase
To be Published
8R7G
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BU of 8r7g by Molmil
Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234
分子名称: 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide, Activin receptor type I
著者Williams, E.P, Cros, J, Ensan, D, Smil, D, Edwards, A.M, O'Meara, J.A, Fernandez-Cid, A, Isaac, M.B, Al-awar, R, Bullock, A.N.
登録日2023-11-24
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
7OSM
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BU of 7osm by Molmil
Intermediate translocation complex of 80 S.cerevisiae ribosome with eEF2 and ligands
分子名称: 18S rRNA, 25S rRNA, 40S ribosomal protein S0, ...
著者Djumagulov, M, Jenner, L, Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G.
登録日2021-06-09
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Accuracy mechanism of eukaryotic ribosome translocation.
Nature, 600, 2021
5JWD
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BU of 5jwd by Molmil
Crystal structure of H-2Db in complex with the LCMV-derived GP392-401 peptide
分子名称: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
著者Buratto, J, Badia-Martinez, D, Norstrom, M, Sandalova, T, Achour, A.
登録日2016-05-12
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of H-2Db in complex with the LCMV-derived peptides GP92 and GP392 explain pleiotropic effects of glycosylation on antigen presentation and immunogenicity.
PLoS ONE, 12, 2017
2BYZ
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BU of 2byz by Molmil
Structure of E.coli KAS I H298Q mutant in complex with C12 fatty acid
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE I, AMMONIUM ION, LAURIC ACID
著者Olsen, J.G, von Wettstein-Knowles, P, Henriksen, A.
登録日2005-08-09
公開日2006-02-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fatty acid synthesis. Role of active site histidines and lysine in Cys-His-His-type beta-ketoacyl-acyl carrier protein synthases.
FEBS J., 273, 2006
5K0W
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BU of 5k0w by Molmil
Crystal structure of the metallo-beta-lactamase GOB-18 from Elizabethkingia meningoseptica
分子名称: CHLORIDE ION, Class B carbapenemase GOB-18, GLYCEROL, ...
著者Buschiazzo, A, Larrieux, N, Vila, A.J, Lisa, M.N, Moran-Barrio, J.
登録日2016-05-17
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal Structure of the Metallo-beta-Lactamase GOB in the Periplasmic Dizinc Form Reveals an Unusual Metal Site.
Antimicrob.Agents Chemother., 60, 2016
4R0X
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BU of 4r0x by Molmil
Allosteric coupling of conformational transitions in the FK1 domain of FKBP51 near the site of steroid receptor interaction
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP5
著者LeMaster, D.M, Mustafi, S.M, Brecher, M, Zhang, J, Heroux, A, Li, H.M, Hernandez, G.
登録日2014-08-02
公開日2015-05-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Coupling of Conformational Transitions in the N-terminal Domain of the 51-kDa FK506-binding Protein (FKBP51) Near Its Site of Interaction with the Steroid Receptor Proteins.
J.Biol.Chem., 290, 2015
7P00
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BU of 7p00 by Molmil
Human Neurokinin 1 receptor (NK1R) substance P Gq chimera (mGsqi) complex
分子名称: Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Thom, C, Ehrenmann, J, Vacca, S, Waltenspuhl, Y, Schoppe, J, Medalia, O, Pluckthun, A.
登録日2021-06-29
公開日2021-12-15
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Structures of neurokinin 1 receptor in complex with G q and G s proteins reveal substance P binding mode and unique activation features.
Sci Adv, 7, 2021
4R3F
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BU of 4r3f by Molmil
Structure of the spliceosomal peptidyl-prolyl cis-trans isomerase Cwc27 from Chaetomium thermophilum
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETATE ION, ...
著者Ulrich, A, Wahl, M.C.
登録日2014-08-15
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure and evolution of the spliceosomal peptidyl-prolyl cis-trans isomerase Cwc27.
Acta Crystallogr.,Sect.D, 70, 2014
7P02
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BU of 7p02 by Molmil
Human Neurokinin 1 receptor (NK1R) substance P Gs complex
分子名称: Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Thom, C, Ehrenmann, J, Vacca, S, Waltenspuhl, Y, Schoppe, J, Medalia, O, Pluckthun, A.
登録日2021-06-29
公開日2021-12-15
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Structures of neurokinin 1 receptor in complex with G q and G s proteins reveal substance P binding mode and unique activation features.
Sci Adv, 7, 2021
7OU4
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BU of 7ou4 by Molmil
The structure of MutS bound to one molecule of ATP and one molecule of ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein MutS, ...
著者Lamers, M.H, Borsellini, A, Friedhoff, P, Kunetsky, V.
登録日2021-06-11
公開日2022-01-12
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryogenic electron microscopy structures reveal how ATP and DNA binding in MutS coordinates sequential steps of DNA mismatch repair.
Nat.Struct.Mol.Biol., 29, 2022
7OTO
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BU of 7oto by Molmil
The structure of MutS bound to two molecules of AMPPNP
分子名称: DNA mismatch repair protein MutS, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Lamers, M.H, Borsellini, A, Friedhoff, P, Kunetsky, V.
登録日2021-06-10
公開日2022-01-12
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryogenic electron microscopy structures reveal how ATP and DNA binding in MutS coordinates sequential steps of DNA mismatch repair.
Nat.Struct.Mol.Biol., 29, 2022
4R5Z
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BU of 4r5z by Molmil
Crystal structure of Rv3772 encoded aminotransferase
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
著者Nasir, N, Anant, A, Vyas, R, Biswal, B.K.
登録日2014-08-22
公開日2015-08-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of Mycobacterium tuberculosis HspAT and ArAT reveal structural basis of their distinct substrate specificities
Sci Rep, 6, 2016
7OU0
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BU of 7ou0 by Molmil
The structure of MutS bound to two molecules of ADP-Vanadate
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein MutS, MAGNESIUM ION, ...
著者Lamers, M.H, Borsellini, A, Friedhoff, P, Kunetsky, V.
登録日2021-06-10
公開日2022-01-12
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryogenic electron microscopy structures reveal how ATP and DNA binding in MutS coordinates sequential steps of DNA mismatch repair.
Nat.Struct.Mol.Biol., 29, 2022
5K1P
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BU of 5k1p by Molmil
Catalytic domain of polyspecific pyrrolysyl-tRNA synthetase mutant N346A/C348A in complex with AMPPNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Pyrrolysine--tRNA ligase
著者Weber, A.
登録日2016-05-18
公開日2016-10-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Genetically encoded fluorophenylalanines enable insights into the recognition of lysine trimethylation by an epigenetic reader.
Chem.Commun.(Camb.), 52, 2016
4R6H
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BU of 4r6h by Molmil
Crystal structure of putative binding protein msme from bacillus subtilis subsp. subtilis str. 168, target efi-510764, an open conformation
分子名称: CHLORIDE ION, Solute binding protein MsmE
著者Patskovsky, Y, Toro, R, Bhosle, R, Al obaidi, N, Chamala, S, Attonito, J.D, Scott glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-08-25
公開日2014-09-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Transporter Msme from Bacillus Subtilis, Target Efi-510764
To be Published
7OU2
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BU of 7ou2 by Molmil
The structure of MutS bound to two molecules of ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein MutS
著者Lamers, M.H, Borsellini, A, Friedhoff, P, Kunetsky, V.
登録日2021-06-11
公開日2022-01-12
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Cryogenic electron microscopy structures reveal how ATP and DNA binding in MutS coordinates sequential steps of DNA mismatch repair.
Nat.Struct.Mol.Biol., 29, 2022
5K26
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Structure of the SH3 domain of MLK3 bound to peptide generated from phage display
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase kinase kinase 11,Chimera protein of MLK3-SH3 and MIP
著者Kall, S.K, Lavie, A.
登録日2016-05-18
公開日2017-12-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Identification of two distinct peptide-binding pockets in the SH3 domain of human mixed-lineage kinase 3.
J. Biol. Chem., 293, 2018

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