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8RP5
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Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis (E241A mutant)
分子名称: 1,2-ETHANEDIOL, Alpha-methylacyl-CoA racemase, TRIETHYLENE GLYCOL
著者Mojanaga, O.O, Acharya, K.R, Lloyd, M.D.
登録日2024-01-12
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献alpha-Methylacyl-CoA Racemase from Mycobacterium tuberculosis -Detailed Kinetic and Structural Characterization of the Active Site.
Biomolecules, 14, 2024
4TW9
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Difluoro-dioxolo-benzoimidazol-benzamides as potent inhibitors of CK1delta and epsilon with nanomolar inhibitory activity on cancer cell proliferation
分子名称: CHLORIDE ION, Casein kinase I isoform delta, N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-{[2-(trifluoromethoxy)benzoyl]amino}-1,3-thiazole-4-carboxamide, ...
著者Richter, J, Bischof, J, Zaja, M, Kohlhof, H, Othersen, O, Vitt, D, Alscher, V, Pospiech, I, Garcia-Reyes, B, Berg, S, Leban, J, Knippschild, U.
登録日2014-06-30
公開日2014-07-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Difluoro-dioxolo-benzoimidazol-benzamides As Potent Inhibitors of CK1 delta and epsilon with Nanomolar Inhibitory Activity on Cancer Cell Proliferation.
J.Med.Chem., 57, 2014
2FU8
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BU of 2fu8 by Molmil
Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (d-captopril complex)
分子名称: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, GLYCEROL, Metallo-beta-lactamase L1, ...
著者Nauton, L, Garau, G, Kahn, R, Dideberg, O.
登録日2006-01-26
公開日2007-01-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia.
J.Mol.Biol., 375, 2008
2FYB
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BU of 2fyb by Molmil
Crystal structure of the catalytic domain of the human beta1,4-galactosyltransferase mutant M339H in complex with Mn and UDP-galactose in open conformation
分子名称: Beta-1,4-galactosyltransferase 1, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE
著者Ramakrishnan, B, Ramasamy, V, Qasba, P.K.
登録日2006-02-07
公開日2006-03-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Snapshots of beta-1,4-Galactosyltransferase-I Along the Kinetic Pathway.
J.Mol.Biol., 357, 2006
8RBO
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BU of 8rbo by Molmil
Cryo-EM structure of Pyrococcus furiosus apo form RNA polymerase contracted clamp conformation
分子名称: DNA-directed RNA polymerase subunit Rpo10, DNA-directed RNA polymerase subunit Rpo11, DNA-directed RNA polymerase subunit Rpo12, ...
著者Tarau, D.M, Reichelt, R, Heiss, F.B, Pilsl, M, Hausner, W, Engel, C, Grohmann, D.
登録日2023-12-04
公開日2024-04-24
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Structural basis of archaeal RNA polymerase transcription elongation and Spt4/5 recruitment.
Nucleic Acids Res., 52, 2024
2FUM
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BU of 2fum by Molmil
Catalytic domain of protein kinase PknB from Mycobacterium tuberculosis in complex with mitoxantrone
分子名称: 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, Probable serine/threonine-protein kinase pknB
著者Wehenkel, A, Alzari, P.M.
登録日2006-01-27
公開日2006-08-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献The structure of PknB in complex with mitoxantrone, an ATP-competitive inhibitor, suggests a mode of protein kinase regulation in mycobacteria
Febs Lett., 580, 2006
8RGP
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Closed Complex I from murine brain
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
著者Vercellino, I, Sazanov, L.A.
登録日2023-12-14
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
8RGR
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Closed Complex I from murine liver
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
著者Vercellino, I, Sazanov, L.A.
登録日2023-12-14
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
2FW1
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BU of 2fw1 by Molmil
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) from the acidophilic bacterium Acetobacter aceti, at pH 8.5
分子名称: ACETIC ACID, N5-carboxyaminoimidazole ribonucleotide mutase
著者Starks, C.M, Kappock, T.J.
登録日2006-01-31
公開日2006-06-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biochemical and Structural Studies of N(5)-Carboxyaminoimidazole Ribonucleotide Mutase from the Acidophilic Bacterium Acetobacter aceti.
Biochemistry, 45, 2006
5D9C
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BU of 5d9c by Molmil
Luciferin-regenerating enzyme solved by SIRAS using XFEL (refined against Hg derivative data)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ...
著者Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T.
登録日2015-08-18
公開日2015-09-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography.
Sci Rep, 5, 2015
8SD6
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BU of 8sd6 by Molmil
Carbonic anhydrase II radiation damage RT 31-60
分子名称: Carbonic anhydrase 2, ZINC ION
著者Combs, J.E, Mckenna, R.
登録日2023-04-06
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.397 Å)
主引用文献XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
2FW7
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BU of 2fw7 by Molmil
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H59N from the acidophilic bacterium Acetobacter aceti, at pH 8
分子名称: N5-carboxyaminoimidazole ribonucleotide mutase
著者Starks, C.M, Kappock, T.J.
登録日2006-02-01
公開日2006-06-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Biochemical and Structural Studies of N(5)-Carboxyaminoimidazole Ribonucleotide Mutase from the Acidophilic Bacterium Acetobacter aceti.
Biochemistry, 45, 2006
8SNQ
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BU of 8snq by Molmil
Streptococcus pyogenes Sortase A (SrtA) with the F145E mutation
分子名称: Sortase
著者Kodama, H.M, Amacher, J.F.
登録日2023-04-27
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Streptococcus pyogenes Sortase A (SrtA) with the F145E mutation
To Be Published
5D9K
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BU of 5d9k by Molmil
Rsk2 N-terminal Kinase in Complex with BI-D1870
分子名称: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL, Ribosomal protein S6 kinase alpha-3
著者Appleton, B.A.
登録日2015-08-18
公開日2015-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of Potent and Selective RSK Inhibitors as Biological Probes.
J.Med.Chem., 58, 2015
2FWI
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BU of 2fwi by Molmil
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H59D, from the acidophilic bacterium Acetobacter aceti, complexed with 5-aminoimidazole ribonucleotide (AIR)
分子名称: 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, N5-carboxyaminoimidazole ribonucleotide mutase
著者Starks, C.M, Kappock, T.J.
登録日2006-02-02
公開日2006-06-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Biochemical and Structural Studies of N(5)-Carboxyaminoimidazole Ribonucleotide Mutase from the Acidophilic Bacterium Acetobacter aceti.
Biochemistry, 45, 2006
8S9R
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BU of 8s9r by Molmil
SAL2, Staphylococcus aureus lipase 2 (geh, lip2), apo form
分子名称: CALCIUM ION, Lipase 2, PHOSPHATE ION, ...
著者Fellner, M.
登録日2023-03-30
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献SAL2, Staphylococcus aureus lipase 2 (geh, lip2), apo form
To Be Published
3H3B
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BU of 3h3b by Molmil
Crystal structure of the single-chain Fv (scFv) fragment of an anti-ErbB2 antibody chA21 in complex with residues 1-192 of ErbB2 extracellular domain
分子名称: Receptor tyrosine-protein kinase erbB-2, anti-ErbB2 antibody chA21
著者Zhou, H, Liu, Y, Niu, L, Zhu, J, Teng, M.
登録日2009-04-16
公開日2010-04-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural Insights into the Down-regulation of Overexpressed p185her2/neu Protein of Transformed Cells by the Antibody chA21.
J.Biol.Chem., 286, 2011
8S9J
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BU of 8s9j by Molmil
FphA, Staphylococcus aureus fluorophosphonate-binding serine hydrolases A, apo form
分子名称: Fluorophosphonate-binding serine hydrolase A, SULFATE ION
著者Fellner, M.
登録日2023-03-28
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献FphA, Staphylococcus aureus fluorophosphonate-binding serine hydrolases A, apo form
To Be Published
8ROM
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BU of 8rom by Molmil
Crystal structure of human FAD synthase PAPS domain in complex with FAD
分子名称: FAD synthase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
著者Leo, G, Capaldi, S.
登録日2024-01-11
公開日2024-04-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural insights into the bifunctional enzyme human FAD synthase.
Structure, 2024
5DB3
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BU of 5db3 by Molmil
Menin in complex with MI-574
分子名称: 6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J.
登録日2015-08-20
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
8SMA
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BU of 8sma by Molmil
SfbO with di-Manganese cofactor
分子名称: Amidohydrolase family protein, MANGANESE (II) ION, SULFATE ION
著者Liu, C, Rittle, J.
登録日2023-04-25
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Bioinformatic Discovery of a Cambialistic Monooxygenase.
J.Am.Chem.Soc., 146, 2024
8SCA
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BU of 8sca by Molmil
Rec3 Domain from S. pyogenes Cas9
分子名称: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1
著者D'Ordine, A.M, Skeens, E, Lisi, G.P, Jogl, G.
登録日2023-04-05
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献High-fidelity, hyper-accurate, and evolved mutants rewire atomic-level communication in CRISPR-Cas9.
Sci Adv, 10, 2024
2FQT
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BU of 2fqt by Molmil
Crystal structure of B.subtilis LuxS in complex with (2S)-2-Amino-4-[(2R,3S)-2,3-dihydroxy-3-N-hydroxycarbamoyl-propylmercapto]butyric acid
分子名称: (2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYCARBAMOYL-PROPYLMERCAPTO]BUTYRIC ACID, COBALT (II) ION, S-ribosylhomocysteine lyase, ...
著者Shen, G, Rajan, R, Zhu, J, Bell, C.E, Pei, D.
登録日2006-01-18
公開日2006-05-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Design and Synthesis of Substrate Analogue Inhibitors of S-Ribosylhomocysteinase (LuxS)
J.Med.Chem., 49, 2006
8SD9
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Carbonic anhydrase II radiation damage RT 121-150
分子名称: Carbonic anhydrase 2, ZINC ION
著者Combs, J.E, Mckenna, R.
登録日2023-04-06
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8RQP
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In meso structure of the alginate exporter, AlgE, from Pseudomonas aeruginosa in 7.10 monoacylglycerol
分子名称: 7.10 monoacylglycerol (R-form), 7.10 monoacylglycerol (S-form), Alginate production protein AlgE, ...
著者Smithers, L, Boland, C, Krawinski, P, Caffrey, M.
登録日2024-01-19
公開日2024-04-03
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献7.10 MAG. A Novel Host Monoacylglyceride for In Meso (Lipid Cubic Phase) Crystallization of Membrane Proteins.
Cryst.Growth Des., 24, 2024

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件を2024-07-10に公開中

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