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2VAD
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BU of 2vad by Molmil
Monomeric red fluorescent protein, DsRed.M1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, RED FLUORESCENT PROTEIN, ...
著者Strongin, D.E, Bevis, B, Khuong, N, Downing, M.E, Strack, R.L, Sundaram, K, Glick, B.S, Keenan, R.J.
登録日2007-08-30
公開日2007-11-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural Rearrangements Near the Chromophore Influence the Maturation Speed and Brightness of Dsred Variants.
Protein Eng.Des.Sel., 20, 2007
6XTA
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BU of 6xta by Molmil
Recombinant human butyrylcholinesterase in complex with (2S)-N-[2-(1-benzylazepan-4-yl)ethyl]-2-(butylamino)-3-(1H-indol-3-yl)propanamide
分子名称: (2~{S})-2-(butylamino)-3-(1~{H}-indol-3-yl)-~{N}-[2-[(4~{R})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brazzolotto, X, Nachon, F, Meden, A, Knez, D, Gobec, S.
登録日2020-01-15
公開日2020-10-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-activity relationship study of tryptophan-based butyrylcholinesterase inhibitors.
Eur.J.Med.Chem., 208, 2020
7JVN
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BU of 7jvn by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Compound 24
分子名称: 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Fodor, M, Stams, T.
登録日2020-08-21
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.917 Å)
主引用文献Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
9M56
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BU of 9m56 by Molmil
Bovine Heart Cytochrome c Oxidase in the Fully Reduced State
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, 1,2-ETHANEDIOL, ...
著者Muramoto, K, Shinzawa-Itoh, K.
登録日2025-03-05
公開日2025-07-02
最終更新日2025-07-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The binding sites of carbon dioxide, nitrous oxide, and xenon reveal a putative exhaust channel for bovine cytochrome c oxidase.
J.Biol.Chem., 301, 2025
4ZBJ
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BU of 4zbj by Molmil
UBN1 peptide bound to H3.3/H4/Asf1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Histone H3, ...
著者Marmorstein, R, Ricketts, M.D, Tang, Y.
登録日2015-04-14
公開日2015-07-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.248 Å)
主引用文献Ubinuclein-1 confers histone H3.3-specific-binding by the HIRA histone chaperone complex.
Nat Commun, 6, 2015
3M2V
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BU of 3m2v by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
分子名称: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
著者Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
登録日2010-03-08
公開日2010-09-15
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
6IDV
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BU of 6idv by Molmil
Peptide Asparaginyl Ligases from Viola yedoensis
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者El Sahili, A, Hu, S, Lescar, J.
登録日2018-09-11
公開日2019-05-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural determinants for peptide-bond formation by asparaginyl ligases.
Proc.Natl.Acad.Sci.USA, 116, 2019
6M8U
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BU of 6m8u by Molmil
Crystal structure of UbiX-like FMN prenyltransferase AF1214 from Archaeoglobus fulgidus, prenylated-FMN complex
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Flavin prenyltransferase UbiX, PHOSPHATE ION
著者Stogios, P.J, Skarina, T, Khusnutidinova, A, Wawrzak, Z, Yakunin, A.F, Savchenko, A.
登録日2018-08-22
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.221 Å)
主引用文献Crystal structure of UbiX-like FMN prenyltransferase AF1214 from Archaeoglobus fulgidus, prenylated-FMN complex
To Be Published
1Q6K
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BU of 1q6k by Molmil
Cathepsin K complexed with t-butyl(1S)-1-cyclohexyl-2-oxoethylcarbamate
分子名称: Cathepsin K, SULFATE ION, TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE
著者Catalano, J.G, Deaton, D.N, Furfine, E.S, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M, Willard, D.H, Wright, L.L.
登録日2003-08-13
公開日2004-03-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Exploration of the P1 SAR of aldehyde cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
6IK8
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BU of 6ik8 by Molmil
Crystal structure of tomato beta-galactosidase (TBG) 4 in complex with beta-1,6-galactobiose
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, Beta-galactosidase, ...
著者Matsuyama, K, Nakae, S, Igarashi, K, Tada, T, Ishimaru, M.
登録日2018-10-15
公開日2018-11-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Substrate-recognition mechanism of tomato beta-galactosidase 4 using X-ray crystallography and docking simulation.
Planta, 252, 2020
6SP5
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BU of 6sp5 by Molmil
Structure of hyperstable haloalkane dehalogenase variant DhaA115
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Haloalkane dehalogenase, ...
著者Chmelova, K, Markova, K, Damborsky, J, Marek, M.
登録日2019-08-30
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst.
Chem Sci, 11, 2020
7LSA
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BU of 7lsa by Molmil
Ruminococcus bromii Amy12 with maltoheptaose
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Koropatkin, N.M, Cockburn, D.W, Brown, H.A, Kibler, R.D.
登録日2021-02-18
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure and substrate recognition by the Ruminococcus bromii amylosome pullulanases.
J.Struct.Biol., 213, 2021
5T37
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BU of 5t37 by Molmil
crystal structure of mPGES-1 bound to inhibitor
分子名称: 2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-N-(1H-imidazol-2-yl)benzamide, GLUTATHIONE, Prostaglandin E synthase, ...
著者Luz, J.G, Antonysamy, S, Partridge, K, Fisher, M.
登録日2016-08-24
公開日2017-03-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1.
Bioorg. Med. Chem. Lett., 27, 2017
2WCJ
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BU of 2wcj by Molmil
Structure of BMori GOBP2 (General Odorant Binding Protein 2) with (10E,12Z)-tetradecadien-1-ol
分子名称: (10E,12Z)-tetradeca-10,12-dien-1-ol, GENERAL ODORANT-BINDING PROTEIN 1, MAGNESIUM ION
著者Robertson, G, Zhou, J.-J, He, X, Pickett, J.A, Field, L.M, Keep, N.H.
登録日2009-03-12
公開日2009-08-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Characterisation of Bombyx Mori Odorant-Binding Proteins Reveals that a General Odorant-Binding Protein Discriminates between Sex Pheromone Components.
J.Mol.Biol., 389, 2009
5T84
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BU of 5t84 by Molmil
HIV-1 protease, unbound subtype B L63P construct
分子名称: Protease
著者Liu, Z, Norell, J, Mahon, B, Poole, K, McKenna, R, Fanucci, G.
登録日2016-09-06
公開日2017-09-20
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Single mutation, L63P, capable of shutting down the flaps of HIV-1 protease
To Be Published
8R08
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BU of 8r08 by Molmil
Cryo-EM structure of the cross-exon pre-B+AMPPNP complex
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, NHP2-like protein 1, N-terminally processed, ...
著者Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R.
登録日2023-10-31
公開日2024-05-22
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
4AK7
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BU of 4ak7 by Molmil
Crystal structure of BpGH117_E303Q in complex with neoagarobiose
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ANHYDRO-ALPHA-L-GALACTOSIDASE, ...
著者Hehemann, J.H, Smyth, L, Yadav, A, Vocadlo, D.J, Boraston, A.B.
登録日2012-02-21
公開日2012-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Analysis of Keystone Enzyme in Agar Hydrolysis Provides Insight Into the Degradation (of a Polysaccharide from) Red Seaweeds.
J.Biol.Chem., 287, 2012
5TAU
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BU of 5tau by Molmil
Structure of rabbit RyR1 (Caffeine/ATP/EGTA dataset, class 3)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, Peptidyl-prolyl cis-trans isomerase FKBP1B, ...
著者Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
登録日2016-09-10
公開日2016-10-12
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (6.2 Å)
主引用文献Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
6C0D
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BU of 6c0d by Molmil
Crystal structure of an Amidase (hydantoinase/carbamoylase family) from Burkholderia phymatum
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Amidase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-12-29
公開日2018-03-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of an Amidase (hydantoinase/carbamoylase family) from Burkholderia phymatum
to be published
1HRV
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BU of 1hrv by Molmil
HRV14/SDZ 35-682 COMPLEX
分子名称: 1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ...
著者Oren, D.A, Zhang, A, Arnold, E.
登録日1995-03-02
公開日1995-06-03
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献SDZ 35-682, a new picornavirus capsid-binding agent with potent antiviral activity.
Antiviral Res., 26, 1995
4NZ3
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BU of 4nz3 by Molmil
Structure of Vibrio cholerae chitin de-N-acetylase in complex with DI(N-ACETYL-D-GLUCOSAMINE) (CBS) in P 21 21 21
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Deacetylase DA1, ...
著者Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E.
登録日2013-12-11
公開日2014-08-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.114 Å)
主引用文献Structural basis of chitin oligosaccharide deacetylation.
Angew.Chem.Int.Ed.Engl., 53, 2014
4RC4
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BU of 4rc4 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with Mitoxantrone derivatives
分子名称: 1,4-bis[(2-aminoethyl)amino]-5,8-dihydroxyanthracene-9,10-dione, Serine/threonine-protein kinase pim-1
著者Zhang, W, Wan, X, Huang, N.
登録日2014-09-14
公開日2015-03-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.651 Å)
主引用文献Crystal structure of Ser/Thr kinase Pim1 in complex with Mitoxantrone derivatives
To be Published
5TAT
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BU of 5tat by Molmil
Structure of rabbit RyR1 (Caffeine/ATP/EGTA dataset, class 2)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, Peptidyl-prolyl cis-trans isomerase FKBP1B, ...
著者Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
登録日2016-09-10
公開日2016-10-12
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
4QU7
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BU of 4qu7 by Molmil
Crystal structure of a G-rich RNA sequence binding factor 1 (GRSF1) from Homo sapiens at 2.50 A resolution
分子名称: G-rich sequence factor 1, RNA 5'-(*AP*GP*GP*GP*AP*UP)-3'
著者Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
登録日2014-07-10
公開日2014-08-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a G-rich RNA sequence binding factor 1 (GRSF1) from Homo sapiens at 2.50 A resolution
To be published
6C2T
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BU of 6c2t by Molmil
Aurora A ligand complex
分子名称: (2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid, Aurora kinase A, DIMETHYL SULFOXIDE, ...
著者Antonysamy, S, Pustilnik, A, Manglicmot, D, Froning, K, Weichert, K, Wasserman, S.
登録日2018-01-08
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene.
Cancer Discov, 9, 2019

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