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2FW9
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Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H59F from the acidophilic bacterium Acetobacter aceti, at pH 8
分子名称: N5-carboxyaminoimidazole ribonucleotide mutase, SULFATE ION
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
2FX7
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BU of 2fx7 by Molmil
Crystal structure of hiv-1 neutralizing human fab 4e10 in complex with a 16-residue peptide encompassing the 4e10 epitope on gp41
分子名称: Fab 4E10, Fragment of HIV glycoprotein (GP41), GLYCEROL
著者Cardoso, R.M.F, Brunel, F.M, Ferguson, S, Burton, D.R, Dawson, P.E, Wilson, I.A.
登録日2006-02-03
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural basis of enhanced binding of extended and helically constrained peptide epitopes of the broadly neutralizing HIV-1 antibody 4E10.
J.Mol.Biol., 365, 2007
7REK
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BU of 7rek by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-086
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine
著者Karim, M.R, Schonbrunn, E.
登録日2021-07-13
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-086
To Be Published
2FWP
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BU of 2fwp by Molmil
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H59N from the acidophilic bacterium Acetobacter aceti, bound to isocair
分子名称: (4R)-5-IMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-4,5-DIHYDRO-1H-IMIDAZOLE-4-CARBOXYLIC ACID, CITRIC ACID, 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 (1.85 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
2G0G
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BU of 2g0g by Molmil
Structure-based drug design of a novel family of PPAR partial agonists: virtual screening, x-ray crystallography and in vitro/in vivo biological activities
分子名称: 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE, Peroxisome proliferator-activated receptor gamma
著者Lu, I.L, Peng, Y.H, Huang, C.F, Lin, Y.T, Hsu, J.T.A, Wu, S.Y.
登録日2006-02-13
公開日2006-05-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structure-Based Drug Design of a Novel Family of PPARgamma Partial Agonists: Virtual Screening, X-ray Crystallography, and in Vitro/in Vivo Biological Activities
J.Med.Chem., 49, 2006
7RGR
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BU of 7rgr by Molmil
Lysozyme 056 from Deep neural language modeling
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Artificial protein L056, CHLORIDE ION
著者Fraser, J.S, Holton, J.M, Olmos Jr, J.L, Greene, E.R.
登録日2021-07-15
公開日2021-07-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Large language models generate functional protein sequences across diverse families.
Nat.Biotechnol., 2023
4TUH
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BU of 4tuh by Molmil
Bcl-xL in complex with inhibitor (Compound 10)
分子名称: 1,2-ETHANEDIOL, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-{3-[4-(1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid, ACETATE ION, ...
著者Czabotar, P.E, Lessense, G, Smith, B.J, Colman, P.M.
登録日2014-06-24
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Guided Rescaffolding of Selective Antagonists of BCL-XL.
Acs Med.Chem.Lett., 5, 2014
2G2Z
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BU of 2g2z by Molmil
Structure of E.coli FabD complexed with malonyl-CoA
分子名称: COENZYME A, MALONIC ACID, Malonyl CoA-acyl carrier protein transacylase
著者Oefner, Christian
登録日2006-02-17
公開日2006-06-27
最終更新日2015-04-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mapping the active site of Escherichia coli malonyl-CoA-acyl carrier protein transacylase (FabD) by protein crystallography.
Acta Crystallogr.,Sect.D, 62, 2006
2G0S
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BU of 2g0s by Molmil
Unphotolyzed CO-bound L29F Myoglobin, crystal 2
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N.
登録日2006-02-13
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobin.
Acta Crystallogr.,Sect.D, 62, 2006
2G0Z
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Photolyzed CO L29F Myoglobin: 1ns
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N.
登録日2006-02-13
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobin.
Acta Crystallogr.,Sect.D, 62, 2006
2G13
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BU of 2g13 by Molmil
CsoS1A with sulfate ion
分子名称: Major carboxysome shell protein 1A, SULFATE ION
著者Tsai, Y, Sawaya, M.R, Cannon, G.C, Williams, E.B, Kerfeld, C.A, Yeates, T.O.
登録日2006-02-13
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structural Analysis of CsoS1A and the Protein Shell of the Halothiobacillus neapolitanus Carboxysome.
Plos Biol., 5, 2007
6DCN
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BU of 6dcn by Molmil
Bcl-xL complex with Beclin 1 BH3 domain T108pThr
分子名称: BCL-xl protein, Beclin-1
著者Lee, E.F, Smith, B.J, Smith, N.A, Yao, S, Fairlie, W.D.
登録日2018-05-07
公開日2018-05-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.444 Å)
主引用文献Structural insights into BCL2 pro-survival protein interactions with the key autophagy regulator BECN1 following phosphorylation by STK4/MST1.
Autophagy, 15, 2019
2G9V
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BU of 2g9v by Molmil
The crystal structure of glycogen phosphorylase in complex with (3R,4R,5R)-5-hydroxymethylpiperidine-3,4-diol and phosphate
分子名称: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, Glycogen phosphorylase, muscle form, ...
著者Oikonomakos, N.G, Tiraidis, C, Leonidas, D.D, Zographos, S.E.
登録日2006-03-07
公開日2007-01-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Iminosugars as potential inhibitors of glycogenolysis: structural insights into the molecular basis of glycogen phosphorylase inhibition.
J.Med.Chem., 49, 2006
2GAX
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BU of 2gax by Molmil
Structure of Protein of Unknown Function Atu0240 from Agrobacteriium tumerfaciencs str. C58
分子名称: PHOSPHATE ION, hypothetical protein Atu0240
著者Binkowski, T.A, Evdokimova, E, Kudritska, M, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-03-09
公開日2006-05-09
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Hypothetical protein Atu0240 from Agrobacteriium tumerfaciencs str. C58
TO BE PUBLISHED
5KE2
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BU of 5ke2 by Molmil
Crystal structure of SETDB1 Tudor domain in complex with inhibitor XST06472A
分子名称: (3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ...
著者Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2016-06-09
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal structure of SETDB1 Tudor domain in complex with inhibitor xst06472a
to be published
2G9Q
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BU of 2g9q by Molmil
The crystal structure of the glycogen phosphorylase b- 1AB complex
分子名称: 1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL, Glycogen phosphorylase, muscle form, ...
著者Oikonomakos, N.G, Tiraidis, C, Leonidas, D.D, Zographos, S.E, Kristiansen, M, Agius, L.
登録日2006-03-07
公開日2007-01-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Iminosugars as potential inhibitors of glycogenolysis: structural insights into the molecular basis of glycogen phosphorylase inhibition.
J.Med.Chem., 49, 2006
7RK0
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BU of 7rk0 by Molmil
Crystal structure of Thermovibrio ammonificans THI4
分子名称: 2-[(E)-[(4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid, FE (III) ION, Thiamine thiazole synthase
著者Li, Q, Bruner, S.D.
登録日2021-07-21
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure and function of aerotolerant, multiple-turnover THI4 thiazole synthases.
Biochem.J., 478, 2021
2GD4
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BU of 2gd4 by Molmil
Crystal Structure of the Antithrombin-S195A Factor Xa-Pentasaccharide Complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, ...
著者Johnson, D.J, Li, W, Adams, T.E, Huntington, J.A.
登録日2006-03-15
公開日2006-05-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Antithrombin-S195A factor Xa-heparin structure reveals the allosteric mechanism of antithrombin activation.
Embo J., 25, 2006
6DNQ
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BU of 6dnq by Molmil
HBZ77 in complex with KIX and c-Myb
分子名称: 1,2-ETHANEDIOL, BZIP factor, CREB-binding protein, ...
著者Yang, K, Wright, P.E, Stanfield, R.L.
登録日2018-06-07
公開日2018-09-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis for cooperative regulation of KIX-mediated transcription pathways by the HTLV-1 HBZ activation domain.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7RAG
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BU of 7rag by Molmil
Structure of the CwlD amidase from Clostridioides difficile in complex with the GerS lipoprotein
分子名称: 1,2-ETHANEDIOL, Germination-specific N-acetylmuramoyl-L-alanine amidase, Autolysin, ...
著者Eckenroth, B.E, Doublie, S.
登録日2021-07-01
公開日2021-09-08
最終更新日2021-10-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A lipoprotein allosterically activates the CwlD amidase during Clostridioides difficile spore formation.
Plos Genet., 17, 2021
2G0V
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BU of 2g0v by Molmil
Photolyzed CO L29F Myoglobin: 100ps
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N.
登録日2006-02-13
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobin.
Acta Crystallogr.,Sect.D, 62, 2006
5KN7
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BU of 5kn7 by Molmil
Lipid A secondary acyltransferase LpxM from Acinetobacter baumannii
分子名称: DODECYL-BETA-D-MALTOSIDE, GLYCEROL, Lipid A biosynthesis lauroyl acyltransferase, ...
著者Dovala, D.L, Hu, Q, Metzger IV, L.E.
登録日2016-06-27
公開日2016-09-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure-guided enzymology of the lipid A acyltransferase LpxM reveals a dual activity mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
2G2L
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BU of 2g2l by Molmil
Crystal Structure of the Second PDZ Domain of SAP97 in Complex with a GluR-A C-terminal Peptide
分子名称: 18-mer peptide from glutamate receptor, ionotropic, AMPA1, ...
著者Von Ossowski, I, Oksanen, E, Von Ossowski, L, Cai, C, Sundberg, M, Goldman, A, Keinanen, K.
登録日2006-02-16
公開日2006-08-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of the second PDZ domain of SAP97 in complex with a GluR-A C-terminal peptide
Febs J., 273, 2006
2G83
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Structure of activated G-alpha-i1 bound to a nucleotide-state-selective peptide: Minimal determinants for recognizing the active form of a G protein alpha subunit
分子名称: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit, ...
著者Johnston, C.A, Ramer, J.K, Blaesius, R, Kuhlman, B, Arshavsky, V.Y, Siderovski, D.P.
登録日2006-03-01
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Minimal Determinants for Binding Activated Galpha from the Structure of a Galpha(i1)-Peptide Dimer.
Biochemistry, 45, 2006
5KPY
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BU of 5kpy by Molmil
Structure of a 5-hydroxytryptophan aptamer
分子名称: 5-hydroxy-L-tryptophan, 5-hydroxytryptophan RNA aptamer, IRIDIUM HEXAMMINE ION, ...
著者Batey, R.T, Porter, E, Merck, M.
登録日2016-07-05
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Recurrent RNA motifs as scaffolds for genetically encodable small-molecule biosensors.
Nat. Chem. Biol., 13, 2017

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