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5VR9
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CH1/Ckappa Fab based on Matuzumab
分子名称: CH1/Ckappa Fab heavy chain, CH1/Ckappa Fab light chain
著者Hendle, J.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Computational design of a specific heavy chain/ kappa light chain interface for expressing fully IgG bispecific antibodies.
Protein Sci., 26, 2017
5VSH
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BU of 5vsh by Molmil
CH1/Clambda Fab based on Pertuzumab
分子名称: CH1/Clambda Fab heavy chain, CH1/Clambda Fab light chain, SULFATE ION
著者Hendle, J.
登録日2017-05-11
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Computational design of a specific heavy chain/ kappa light chain interface for expressing fully IgG bispecific antibodies.
Protein Sci., 26, 2017
4U1E
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BU of 4u1e by Molmil
Crystal structure of the eIF3b-CTD/eIF3i/eIF3g-NTD translation initiation complex
分子名称: Eukaryotic translation initiation factor 3 subunit B, Eukaryotic translation initiation factor 3 subunit G, Eukaryotic translation initiation factor 3 subunit I
著者Zhang, S, Erzberger, J.P, Schaefer, T, Ban, N.
登録日2014-07-15
公開日2014-09-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular Architecture of the 40SeIF1eIF3 Translation Initiation Complex.
Cell, 158, 2014
5TJN
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BU of 5tjn by Molmil
Crystal structure of GTB + B trisaccharide (native)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Histo-blood group ABO system transferase, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside
著者Legg, M.S.G, Gagnon, S.M.L, Evans, S.V.
登録日2016-10-04
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release.
Glycobiology, 27, 2017
4U1F
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BU of 4u1f by Molmil
Crystal structure of middle domain of eukaryotic translation initiation factor eIF3b
分子名称: Eukaryotic translation initiation factor 3 subunit B
著者Zhang, S, Erzberger, J.P, Schaefer, T, Ban, N.
登録日2014-07-15
公開日2014-09-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular Architecture of the 40SeIF1eIF3 Translation Initiation Complex.
Cell, 158, 2014
1QWM
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BU of 1qwm by Molmil
Structure of Helicobacter pylori catalase with formic acid bound
分子名称: AZIDE ION, FORMIC ACID, KatA catalase, ...
著者Loewen, P.C, Carpena, X, Perez-Luque, R, Rovira, C, Haas, R, Odenbreit, S, Nicholls, P, Fita, I.
登録日2003-09-02
公開日2004-03-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Helicobacter pylori Catalase, with and without Formic Acid Bound, at 1.6 A Resolution
Biochemistry, 43, 2004
5W5H
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BU of 5w5h by Molmil
Human IFIT1 dimer with m7Gppp-AAAA
分子名称: Interferon-induced protein with tetratricopeptide repeats 1, RNA (5'-D(*(GTA))-R(P*AP*AP*A)-3')
著者Abbas, Y.M, Martinez-Montero, S, Damha, M.J, Nagar, B.
登録日2017-06-15
公開日2017-07-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural insights into IFIT1 dimerization and conformational changes associated with mRNA binding
To Be Published
1STF
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BU of 1stf by Molmil
THE REFINED 2.4 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF RECOMBINANT HUMAN STEFIN B IN COMPLEX WITH THE CYSTEINE PROTEINASE PAPAIN: A NOVEL TYPE OF PROTEINASE INHIBITOR INTERACTION
分子名称: PAPAIN, STEFIN B (CYSTATIN B)
著者Stubbs, M.T, Laber, B, Bode, W.
登録日1993-04-21
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献The refined 2.4 A X-ray crystal structure of recombinant human stefin B in complex with the cysteine proteinase papain: a novel type of proteinase inhibitor interaction.
EMBO J., 9, 1990
3M2W
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BU of 3m2w by Molmil
Crystal structure of MAPKAK kinase 2 (MK2) complexed with a spiroazetidine-tetracyclic ATP site inhibitor
分子名称: 2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'H)-one, MAGNESIUM ION, MAP kinase-activated protein kinase 2
著者Kroemer, M, Revesz, L, Be, C, Izaac, A, Huppertz, C, Schlapbach, A, Scheufler, C.
登録日2010-03-08
公開日2010-07-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献In vivo and in vitro SAR of tetracyclic MAPKAP-K2 (MK2) inhibitors. Part II.
Bioorg.Med.Chem.Lett., 20, 2010
3O6Z
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BU of 3o6z by Molmil
Structure of the D152A E.coli GDP-mannose hydrolase (yffh) in complex with Mg++
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Amzel, L.M, Gabelli, S.B, Boto, A.N.
登録日2010-07-29
公開日2011-05-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition.
Proteins, 79, 2011
3O69
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Structure of the E100A E.coli GDP-mannose hydrolase (yffh) in complex with Mg++
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GDP-mannose pyrophosphatase nudK, ...
著者Amzel, L.M, Gabelli, S.B, Boto, A.N.
登録日2010-07-28
公開日2011-05-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition.
Proteins, 79, 2011
3O61
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BU of 3o61 by Molmil
Structure of the E100A E.coli GDP-mannose hydrolase (yffh) in complex with GDP-mannose and Mg++
分子名称: CHLORIDE ION, GDP-mannose pyrophosphatase nudK, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, ...
著者Amzel, L.M, Gabelli, S.B, Boto, A.N.
登録日2010-07-28
公開日2011-05-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition.
Proteins, 79, 2011
3FPM
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BU of 3fpm by Molmil
Crystal Structure of a Squarate Inhibitor bound to MAPKAP Kinase-2
分子名称: 3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione, MAP kinase-activated protein kinase 2
著者Parris, K.D.
登録日2009-01-05
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Identification and SAR of squarate inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2)
Bioorg.Med.Chem., 17, 2009
3M42
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BU of 3m42 by Molmil
Crystal structure of MAPKAP kinase 2 (MK2) complexed with a tetracyclic ATP site inhibitor
分子名称: 2-[5-(2-methoxyethoxy)pyridin-3-yl]-8,9,10,11-tetrahydro-7H-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin-7-one, MAGNESIUM ION, MAP kinase-activated protein kinase 2
著者Scheufler, C, Revesz, L, Be, C, Izaac, A, Huppertz, C, Schlapbach, A, Kroemer, M.
登録日2010-03-10
公開日2011-03-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Novel pyrrolo[2,3-f]isoquinoline based MAPKAP-K2 (MK2) inhibitors with potent in vitro and in vivo activity
To be Published
3NSJ
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BU of 3nsj by Molmil
The X-ray crystal structure of lymphocyte perforin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Law, R.H, Whisstock, J.C, Caradoc-Davies, T.T.
登録日2010-07-01
公開日2010-11-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The structural basis for membrane binding and pore formation by lymphocyte perforin.
Nature, 468, 2010
3O52
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BU of 3o52 by Molmil
Structure of the E.coli GDP-mannose hydrolase (yffh) in complex with tartrate
分子名称: CHLORIDE ION, D(-)-TARTARIC ACID, GDP-mannose pyrophosphatase nudK, ...
著者Amzel, L.M, Gabelli, S.B, Boto, A.N.
登録日2010-07-27
公開日2011-05-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition.
Proteins, 79, 2011
1CLS
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BU of 1cls by Molmil
CROSS-LINKED HUMAN HEMOGLOBIN DEOXY
分子名称: HEMOGLOBIN, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Ji, X, Fronticelli, C, Bucci, E, Gilliland, G.L.
登録日1995-08-29
公開日1996-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Positive and negative cooperativities at subsequent steps of oxygenation regulate the allosteric behavior of multistate sebacylhemoglobin.
Biochemistry, 35, 1996
2M9O
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BU of 2m9o by Molmil
Solution structure of kalata B7
分子名称: Kalata-B7
著者Daly, N, Elliott, A, Craik, D.
登録日2013-06-18
公開日2013-11-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Cyclotides as templates for peptide GPCR ligand design - discovery of the target receptor of the oxytocic plant peptide kalata B7
Proc.Natl.Acad.Sci.USA, 2013
2M3K
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BU of 2m3k by Molmil
Global fold of the type IV pilin ComP from Neisseria meningitidis
分子名称: Minor pilin ComP
著者Simpson, P.
登録日2013-01-21
公開日2013-02-13
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Specific DNA recognition mediated by a type IV pilin.
Proc.Natl.Acad.Sci.USA, 110, 2013
3IF8
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BU of 3if8 by Molmil
Crystal Structure of ZWILCH, a member of the RZZ kinetochore complex
分子名称: Protein zwilch homolog
著者Wehenkel, A, Civril, F, Musacchio, A.
登録日2009-07-24
公開日2010-06-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural analysis of the RZZ complex reveals common ancestry with multisubunit vesicle tethering machinery.
Structure, 18, 2010
8CZ7
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BU of 8cz7 by Molmil
Crystal structure of SARS-CoV-2 Mpro with compound C2
分子名称: 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide
著者Worrall, L.J, Lee, J, Strynadka, N.C.J.
登録日2022-05-24
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
8CYZ
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BU of 8cyz by Molmil
Crystal structure of SARS-CoV-2 Mpro with compound C4
分子名称: 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide
著者Worrall, L.J, Lee, J, Strynadka, N.C.J.
登録日2022-05-24
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
8CYU
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BU of 8cyu by Molmil
Crystal structure of SARS-CoV-2 Mpro with compound C5
分子名称: 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide
著者Worrall, L.J, Lee, J, Strynadka, N.C.J.
登録日2022-05-24
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
8CZ4
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Crystal structure of SARS-CoV-2 Mpro with compound C3
分子名称: 3C-like proteinase, N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide
著者Worrall, L.J, Lee, J, Strynadka, N.C.J.
登録日2022-05-24
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
2NBA
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BU of 2nba by Molmil
Solution NMR structure of the minor DNA-uptake pilin ComP from Neisseri subflava
分子名称: Prepilin-type cleavage/methylation N-terminal domain protein
著者Berry, J.L, Xu, Y.
登録日2016-02-02
公開日2016-05-18
最終更新日2016-06-29
実験手法SOLUTION NMR
主引用文献A Comparative Structure/Function Analysis of Two Type IV Pilin DNA Receptors Defines a Novel Mode of DNA Binding.
Structure, 24, 2016

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