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8CRT
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BU of 8crt by Molmil
Local refinement of Rh trimer, glycophorin B and Band3-III transmembrane region, class 1a of erythrocyte ankyrin-1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ammonium transporter Rh type A, Band 3 anion transport protein, ...
著者Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
登録日2022-05-11
公開日2022-07-20
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
7OKP
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BU of 7okp by Molmil
Crystal structure of mouse CARM1 in complex with histone H3_13-22 K18 acetylated
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, Histone H3.3, Histone-arginine methyltransferase CARM1, ...
著者Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J.
登録日2021-05-18
公開日2021-10-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Studies Provide New Insights into the Role of Lysine Acetylation on Substrate Recognition by CARM1 and Inform the Design of Potent Peptidomimetic Inhibitors.
Chembiochem, 22, 2021
8CTE
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BU of 8cte by Molmil
Class 2 of erythrocyte ankyrin-1 complex (Composite map)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ammonium transporter Rh type A, Ankyrin-1, ...
著者Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
登録日2022-05-14
公開日2022-07-20
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
3U6I
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BU of 3u6i by Molmil
Crystal structure of c-Met in complex with pyrazolone inhibitor 58a
分子名称: Hepatocyte growth factor receptor, N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
著者Bellon, S.F, Whittington, D.A, Long, A.L.
登録日2011-10-12
公開日2012-02-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
3GO5
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BU of 3go5 by Molmil
Crystal structure of a multidomain protein with nucleic acid binding domains (sp_0946) from streptococcus pneumoniae tigr4 at 1.40 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Multidomain protein with S1 RNA-binding domains
著者Joint Center for Structural Genomics (JCSG)
登録日2009-03-18
公開日2009-04-07
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of a virulence regulatory factor CvfB reveals a novel winged helix RNA binding module.
Structure, 18, 2010
1KIM
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BU of 1kim by Molmil
CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH DEOXYTHYMIDINE
分子名称: SULFATE ION, THYMIDINE, THYMIDINE KINASE
著者Champness, J.N, Bennett, M.S, Wien, F, Brown, D.G, Visse, R, Sandhu, G, Davies, A, Rizkallah, P.J, Melitz, C, Summers, W.C, Sanderson, M.R.
登録日1997-11-12
公開日1998-05-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
3HAW
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BU of 3haw by Molmil
Crystal structure of [L-Ala51/51']HIV-1 protease with reduced isostere MVT-101 inhibitor
分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, [L-Ala51/51']HIV-1 protease
著者Torbeev, V.Y, Kent, S.B.H.
登録日2009-05-02
公開日2011-04-27
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
4MLN
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BU of 4mln by Molmil
Crystal of PhnZ bound to (R)-2-amino-1-hydroxyethylphosphonic acid
分子名称: FE (III) ION, Predicted HD phosphohydrolase PhnZ, [(1R)-2-amino-1-hydroxyethyl]phosphonic acid
著者van Staalduinen, L.M, McSorley, F.R, Zechel, D.L, Jia, Z, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2013-09-06
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of PhnZ in complex with substrate reveals a di-iron oxygenase mechanism for catabolism of organophosphonates.
Proc.Natl.Acad.Sci.USA, 111, 2014
6STB
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BU of 6stb by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, Q64W mutant
分子名称: Major strawberry allergen Fra a 1-2
著者Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
登録日2019-09-10
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
3U2T
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BU of 3u2t by Molmil
Crystal Structure of Human Glycogenin-1 (GYG1) complexed with manganese
分子名称: 1,2-ETHANEDIOL, Glycogenin-1, MANGANESE (II) ION
著者Chaikuad, A, Froese, D.S, Krysztofinska, E, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Oppermann, U, Yue, W.W, Structural Genomics Consortium (SGC)
登録日2011-10-04
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Conformational plasticity of glycogenin and its maltosaccharide substrate during glycogen biogenesis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3U6H
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BU of 3u6h by Molmil
Crystal structure of c-Met in complex with pyrazolone inhibitor 26
分子名称: Hepatocyte growth factor receptor, N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
著者Bellon, S.F, Whittington, D.A, Long, A.L.
登録日2011-10-12
公開日2012-02-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
3UBD
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BU of 3ubd by Molmil
Structure of N-terminal domain of RSK2 kinase in complex with flavonoid glycoside SL0101
分子名称: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 3,4-di-O-acetyl-6-deoxy-alpha-L-mannopyranoside, Ribosomal protein S6 kinase alpha-3
著者Utepbergenov, D, Derewenda, U, Derewenda, Z.S.
登録日2011-10-24
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Insights into the Inhibition of the p90 Ribosomal S6 Kinase (RSK) by the Flavonol Glycoside SL0101 from the 1.5 A Crystal Structure of the N-Terminal Domain of RSK2 with Bound Inhibitor.
Biochemistry, 51, 2012
4Y6N
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BU of 4y6n by Molmil
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and phosphoglyceric acid (PGA) - GpgS Mn2+ UDP-Glc PGA-1
分子名称: 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, Glucosyl-3-phosphoglycerate synthase, ...
著者Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E.
登録日2015-02-13
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.348 Å)
主引用文献A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.
Angew.Chem.Int.Ed.Engl., 54, 2015
5FA2
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BU of 5fa2 by Molmil
Crystal structure of 426c.TM4deltaV1-3 p120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, THIOCYANATE ION, ...
著者Scharf, L, Bjorkman, P.J.
登録日2015-12-10
公開日2016-04-06
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for germline antibody recognition of HIV-1 immunogens.
Elife, 5, 2016
1KPM
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BU of 1kpm by Molmil
First Structural Evidence of a Specific Inhibition of Phospholipase A2 by Vitamin E and its Implications in Inflammation: Crystal Structure of the Complex Formed between Phospholipase A2 and Vitamin E at 1.8 A Resolution.
分子名称: ACETIC ACID, Phospholipase A2, VITAMIN E
著者Chandra, V, Jasti, J, Kaur, P, Betzel, C, Srinivasan, A, Singh, T.P.
登録日2002-01-01
公開日2002-07-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献First Structural Evidence of a Specific Inhibition of Phospholipase A2 by alpha-Tocopherol (Vitamin E) and its Implications in Inflammation: Crystal Structure of the Complex Formed Between Phospholipase A2 and alpha-Tocopherol at 1.8 A Resolution
J.Mol.Biol., 320, 2002
8CKC
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BU of 8ckc by Molmil
Vitamin D receptor complex with 25-amine derivative of 1,25D3
分子名称: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-azanyl-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ...
著者Rochel, N.
登録日2023-02-15
公開日2023-04-26
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis and biological activities of C25-amino and C25-nitro vitamin D analogs.
Bioorg.Chem., 136, 2023
8CK5
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BU of 8ck5 by Molmil
VDR LBD complex with 25-nitro derivative of 1,25D3
分子名称: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-nitro-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ...
著者Rochel, N.
登録日2023-02-14
公開日2023-04-26
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis and biological activities of C25-amino and C25-nitro vitamin D analogs.
Bioorg.Chem., 136, 2023
1KJ7
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BU of 1kj7 by Molmil
SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL STRUCTURES OF SIX SUBSTRATE COMPLEXES
分子名称: ACETATE ION, POL POLYPROTEIN, gag polyprotein
著者Schiffer, C.A.
登録日2001-12-04
公開日2002-03-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Substrate shape determines specificity of recognition for HIV-1 protease: analysis of crystal structures of six substrate complexes.
Structure, 10, 2002
1KJF
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BU of 1kjf by Molmil
SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL STRUCTURES OF SIX SUBSTRATE COMPLEXES
分子名称: ACETATE ION, GAG POLYPROTEIN, POL POLYPROTEIN
著者Schiffer, C.A.
登録日2001-12-04
公開日2002-03-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Substrate shape determines specificity of recognition for HIV-1 protease: analysis of crystal structures of six substrate complexes.
Structure, 10, 2002
6DU3
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BU of 6du3 by Molmil
Structure of Scp1 D96N bound to REST-pS861/4 peptide
分子名称: Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1, MAGNESIUM ION, REST-pS861
著者Burkholder, N.T, Mayfield, J.E, Yu, X, Irani, S, Arce, D.K, Jiang, F, Matthews, W, Xue, Y, Zhang, Y.J.
登録日2018-06-19
公開日2018-09-26
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Phosphatase activity of small C-terminal domain phosphatase 1 (SCP1) controls the stability of the key neuronal regulator RE1-silencing transcription factor (REST).
J. Biol. Chem., 293, 2018
3TV1
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BU of 3tv1 by Molmil
Crystal structure of RtcA.AMP product complex
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
著者Chakravarty, A.K, Smith, P, Shuman, S.
登録日2011-09-19
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of RNA 3'-phosphate cyclase bound to ATP reveal the mechanism of nucleotidyl transfer and metal-assisted catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
4MUH
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BU of 4muh by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(2-(5-acetamido-1,3,4-thiadiazol-2-ylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl)acetic acid
分子名称: 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ...
著者Silvestre, H.L, Blundell, T.L.
登録日2013-09-21
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
6ST9
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BU of 6st9 by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, D48R mutant
分子名称: CHLORIDE ION, Major strawberry allergen Fra a 1-2
著者Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
登録日2019-09-10
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
7A3O
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BU of 7a3o by Molmil
Crystal structure of dengue 1 virus envelope glycoprotein in complex with the scFv fragment of the broadly neutralizing human antibody EDE1 C10
分子名称: Core protein, GLYCEROL, SULFATE ION, ...
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
1KLA
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BU of 1kla by Molmil
SOLUTION STRUCTURE OF TGF-B1, NMR, MODELS 1-17 OF 33 STRUCTURES
分子名称: TRANSFORMING GROWTH FACTOR-BETA 1
著者Hinck, A.P, Archer, S.J, Qian, S.W, Roberts, A.B, Sporn, M.B, Weatherbee, J.A, Tsang, M.L.-S, Lucas, R, Zhang, B.-L, Wenker, J, Torchia, D.A.
登録日1996-01-16
公開日1996-08-17
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献Transforming growth factor beta 1: three-dimensional structure in solution and comparison with the X-ray structure of transforming growth factor beta 2.
Biochemistry, 35, 1996

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