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6FXQ
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BU of 6fxq by Molmil
Structure of coproheme decarboxylase from Listeria monocytogenes during turnover
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Putative heme-dependent peroxidase lmo2113, ...
著者Hofbauer, S, Pfanzagl, V, Mlynek, G, Puehringer, D.
登録日2018-03-09
公開日2019-07-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Redox Cofactor Rotates during Its Stepwise Decarboxylation: Molecular Mechanism of Conversion of Coproheme to Hemeb.
Acs Catalysis, 9, 2019
4ZNN
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BU of 4znn by Molmil
MicroED structure of the segment, GVVHGVTTVA, from the A53T familial mutant of Parkinson's disease protein, alpha-synuclein residues 47-56
分子名称: Alpha-synuclein
著者Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S.
登録日2015-05-05
公開日2015-09-09
最終更新日2024-03-06
実験手法ELECTRON CRYSTALLOGRAPHY (1.41 Å)
主引用文献Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
2XTL
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BU of 2xtl by Molmil
Structure of the major pilus backbone protein from Streptococcus Agalactiae
分子名称: CELL WALL SURFACE ANCHOR FAMILY PROTEIN, POTASSIUM ION
著者Rinauda, D, Gourlay, L.J, Soriano, M, Grandi, G, Bolognesi, M.
登録日2010-10-11
公開日2011-07-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-Based Approach to Rationally Design a Chimeric Protein for an Effective Vaccine Against Group B Streptococcus Infections.
Proc.Natl.Acad.Sci.USA, 108, 2011
8FVT
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BU of 8fvt by Molmil
Multi-state design of two-state switchable hinge proteins
分子名称: 3hb12
著者Bera, A.K, Broerman, A, Baker, D.
登録日2023-01-19
公開日2023-08-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Design of stimulus-responsive two-state hinge proteins.
Science, 381, 2023
8C7Z
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BU of 8c7z by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2308
分子名称: 1,2-ETHANEDIOL, 9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine, AMMONIUM ION, ...
著者Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N.
登録日2023-01-18
公開日2023-02-01
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Discovery of Conformationally Constrained ALK2 Inhibitors.
J.Med.Chem., 67, 2024
8C7W
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BU of 8c7w by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2304
分子名称: 1,2-ETHANEDIOL, 6-methyl-9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydropyrido[4,3-d][2]benzazepine, Activin receptor type I, ...
著者Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N.
登録日2023-01-17
公開日2023-02-08
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Discovery of Conformationally Constrained ALK2 Inhibitors.
J.Med.Chem., 67, 2024
1YRA
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BU of 1yra by Molmil
PAB0955 crystal structure : a GTPase in GDP bound form from Pyrococcus abyssi
分子名称: ATP(GTP)binding protein, GUANOSINE-5'-DIPHOSPHATE
著者Gras, S, Carpentier, P, Armengaud, J, Housset, D.
登録日2005-02-03
公開日2006-02-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into a new homodimeric self-activated GTPase family.
Embo Rep., 8, 2007
2W9N
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BU of 2w9n by Molmil
crystal structure of linear di-ubiquitin
分子名称: CHLORIDE ION, UBIQUITIN, ZINC ION
著者Komander, D, Reyes-Turcu, F, Wilkinson, K.D, Barford, D.
登録日2009-01-27
公開日2009-04-28
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Molecular Discrimination of Structurally Equivalent Lys 63-Linked and Linear Polyubiquitin Chains.
Embo Rep., 10, 2009
2ZY0
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BU of 2zy0 by Molmil
Crystal structure of the human RXR alpha ligand binding domain bound to a synthetic agonist compound and a coactivator peptide
分子名称: 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid, GRIP1 from Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Sato, Y, Antony, P, Rochel, N, Moras, D, Structural Genomics Consortium for Research on Gene Expression (SGCGES)
登録日2009-01-09
公開日2009-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Silicon analogues of the RXR-selective retinoid agonist SR11237 (BMS649): chemistry and biology
Chemmedchem, 4, 2009
6MH2
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BU of 6mh2 by Molmil
Structure of Herceptin Fab without antigen
分子名称: Herceptin Fab arm heavy chain, Herceptin Fab arm light chain
著者Luthra, A, Langley, D.B, Christie, M, Christ, D.
登録日2018-09-17
公開日2019-05-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Human Antibody Bispecifics through Phage Display Selection.
Biochemistry, 58, 2019
2ZXZ
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BU of 2zxz by Molmil
Crystal structure of the human RXR alpha ligand binding domain bound to a synthetic agonist compound and a coactivator peptide
分子名称: 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid, GRIP1 from Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Sato, Y, Antony, P, Rochel, N, Moras, D, Structural Genomics Consortium for Research on Gene Expression (SGCGES)
登録日2009-01-09
公開日2009-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Silicon analogues of the RXR-selective retinoid agonist SR11237 (BMS649): chemistry and biology
Chemmedchem, 4, 2009
8C3V
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BU of 8c3v by Molmil
SARS-CoV-2 Delta-RBD complexed with BA.2-13 Fab and C1 nanobody
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, BA.2-13 heavy chain, BA.2-13 light chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2022-12-28
公開日2023-03-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Rapid escape of new SARS-CoV-2 Omicron variants from BA.2-directed antibody responses.
Cell Rep, 42, 2023
1DNK
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BU of 1dnk by Molmil
THE X-RAY STRUCTURE OF THE DNASE I-D(GGTATACC)2 COMPLEX AT 2.3 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-D(*GP*GP*TP*AP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*TP*AP*CP*C)-3'), ...
著者Weston, S.A, Lahm, A, Suck, D.
登録日1992-08-10
公開日1994-01-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray structure of the DNase I-d(GGTATACC)2 complex at 2.3 A resolution.
J.Mol.Biol., 226, 1992
6FTQ
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BU of 6ftq by Molmil
Crystal structure of human beta-ureidopropionase (beta-alanine synthase) - mutant T299C
分子名称: Beta-ureidopropionase
著者Dobritzsch, D, Maurer, D.
登録日2018-02-23
公開日2018-11-21
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal structure and pH-dependent allosteric regulation of human beta-ureidopropionase, an enzyme involved in anticancer drug metabolism.
Biochem. J., 475, 2018
2EJN
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BU of 2ejn by Molmil
Structural characterization of the tetrameric form of the major cat allergen fel D 1
分子名称: CALCIUM ION, Major allergen I polypeptide chain 1, chain 2
著者Kaiser, L, Velickovic, T.C, Badia-Martinez, D, Adedoyin, J, Thunberg, S, Hallen, D, Berndt, K, Gronlund, H, Gafvelin, G, van Hage, M, Achour, A.
登録日2007-03-19
公開日2007-04-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural characterization of the tetrameric form of the major cat allergen Fel d 1
J.Mol.Biol., 370, 2007
1ZTD
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BU of 1ztd by Molmil
Hypothetical Protein Pfu-631545-001 From Pyrococcus furiosus
分子名称: Hypothetical Protein Pfu-631545-001
著者Fu, Z.-Q, Horanyi, P, Florence, Q, Liu, Z.-J, Chen, L, Lee, D, Habel, J, Xu, H, Nguyen, D, Chang, S.-H, Zhou, W, Zhang, H, Jenney Jr, F.E, Sha, B, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2005-05-26
公開日2005-06-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Hypothetical Protein Pfu-631545-001 From Pyrococcus furiosus
To be Published
8GJG
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BU of 8gjg by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
分子名称: gluc_A04_0005, gluc_A04_0005 Binder
著者Leung, P.J.Y, Bera, A.K, Torres, S.V, Baker, D, Kang, A.
登録日2023-03-15
公開日2024-01-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
6N4N
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BU of 6n4n by Molmil
Crystal structure of the designed protein DNCR2/danoprevir/NS3a complex
分子名称: (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS3 protease, Rosetta-designed danoprevir/NS3a complex reader 2, ...
著者Wang, Z, Foight, G.W, Baker, D, Maly, D.J.
登録日2018-11-19
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Multi-input chemical control of protein dimerization for programming graded cellular responses.
Nat.Biotechnol., 37, 2019
4ABJ
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BU of 4abj by Molmil
Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (IcA)SFTI-1(1,14), that was 1,5-disubstituted with 1,2,3- trizol to mimic a cis amide bond
分子名称: CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ...
著者Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H.
登録日2011-12-08
公開日2012-03-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations
Angew.Chem.Int.Ed.Engl., 51, 2012
8DNT
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BU of 8dnt by Molmil
SARS-CoV-2 specific T cell receptor
分子名称: Beta-2-microglobulin, MHC class I antigen alpha chain, Nucleoprotein, ...
著者Gallagher, D.T, Wu, D, Gowthaman, R, Pierce, B.G, Mariuzza, R.A, Weng, N.P.
登録日2022-07-11
公開日2023-07-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献SARS-CoV-2 infection establishes a stable and age-independent CD8 + T cell response against a dominant nucleocapsid epitope using restricted T cell receptors.
Nat Commun, 14, 2023
2XHH
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BU of 2xhh by Molmil
Circular permutation provides an evolutionary link between two families of calcium-dependent carbohydrate binding modules
分子名称: (2S)-2-hydroxybutanedioic acid, CALCIUM ION, CARBOHYDRATE BINDING MODULE
著者Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D, Ratnaparkhe, S, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J.
登録日2010-06-16
公開日2010-07-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules
J.Biol.Chem., 285, 2010
8SY5
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BU of 8sy5 by Molmil
E. coli DNA-directed RNA polymerase transcription elongation complex bound the unnatural dS-BTP base pair in the active site
分子名称: 2-oxo-2-hydroadenosine 5'-(tetrahydrogen triphosphate), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Shan, Z, Lyumkis, D, Oh, J, Wang, D.
登録日2023-05-24
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献A unified Watson-Crick geometry drives transcription of six-letter expanded DNA alphabets by E. coli RNA polymerase.
Nat Commun, 14, 2023
8SY6
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BU of 8sy6 by Molmil
E. coli DNA-directed RNA polymerase transcription elongation complex bound the unnatural dB-UTP base pair in the active site
分子名称: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Shan, Z, Lyumkis, D, Oh, J, Wang, D.
登録日2023-05-24
公開日2023-12-27
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献A unified Watson-Crick geometry drives transcription of six-letter expanded DNA alphabets by E. coli RNA polymerase.
Nat Commun, 14, 2023
2XRA
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BU of 2xra by Molmil
crystal structure of the HK20 Fab in complex with a gp41 mimetic 5- Helix
分子名称: HK20, HUMAN MONOCLONAL ANTIBODY HEAVY CHAIN, HUMAN MONOCLONAL ANTIBODY LIGHT CHAIN, ...
著者Sabin, C, Corti, D, Buzon, V, Seaman, M.S, Lutje Hulsik, D, Hinz, A, Vanzetta, F, Agatic, G, Silacci, C, Langedijk, J.P.M, Mainetti, L, Scarlatti, G, Sallusto, F, Weiss, R, Lanzavecchia, A, Weissenhorn, W.
登録日2010-09-13
公開日2010-12-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure and size-dependent neutralization properties of HK20, a human monoclonal antibody binding to the highly conserved heptad repeat 1 of gp41.
PLoS Pathog., 6, 2010
2XHJ
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BU of 2xhj by Molmil
Circular permutation provides an evolutionary link between two families of calcium-dependent carbohydrate binding modules. SeMet form of vCBM60.
分子名称: CALCIUM ION, CALCIUM-DEPENDENT CARBOHYDRATE BINDING MODULE
著者Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D, Ratnaparkhe, S, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J.
登録日2010-06-16
公開日2010-07-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules
J.Biol.Chem., 285, 2010

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