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PDB: 12479 件

3GGE
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BU of 3gge by Molmil
Crystal structure of the PDZ domain of PDZ domain-containing protein GIPC2
分子名称: GLYCEROL, PDZ domain-containing protein GIPC2, SULFATE ION
著者Chaikuad, A, Hozjan, V, Yue, W, Cooper, C, Elkins, J, Pike, A.C.W, Roos, A.K, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2009-02-27
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the PDZ domain of PDZ domain-containing protein GIPC2
To be Published
3G70
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BU of 3g70 by Molmil
Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors
分子名称: (1R,5S)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W.
登録日2009-02-09
公開日2009-06-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
3EYD
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BU of 3eyd by Molmil
Structure of HCV NS3-4A Protease with an Inhibitor Derived from a Boronic Acid
分子名称: HCV NS3, HCV NS4a peptide, ZINC ION, ...
著者Venkatraman, S, Wu, W, Prongay, A.J, Girijavallabhan, V, Njoroge, F.G.
登録日2008-10-20
公開日2009-02-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Potent inhibitors of HCV-NS3 protease derived from boronic acids.
Bioorg.Med.Chem.Lett., 19, 2009
2HSG
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BU of 2hsg by Molmil
Structure of transcription regulator CcpA in its DNA-free state
分子名称: Glucose-resistance amylase regulator
著者Loll, B, Alings, C, Saenger, W, Biesiadka, J.
登録日2006-07-21
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of full-length transcription regulator CcpA in the apo form.
Biochim.Biophys.Acta, 1774, 2007
1OWK
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BU of 1owk by Molmil
Substituted 2-Naphthamidine Inhibitors of Urokinase
分子名称: 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE, Urokinase-type plasminogen activator
著者Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L.
登録日2003-03-28
公開日2003-09-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
3KUZ
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BU of 3kuz by Molmil
Crystal structure of the ubiquitin like domain of PLXNC1
分子名称: Plexin-C1, UNKNOWN ATOM OR ION
著者Wang, H, Li, B, Tempel, W, Tong, Y, Guan, X, Zhong, N, Crombet, L, MacKenzie, F, Buck, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-11-28
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the ubiquitin like domain of PLXNC1
to be published
2HR3
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BU of 2hr3 by Molmil
Crystal structure of putative transcriptional regulator protein from Pseudomonas aeruginosa PA01 at 2.4 A resolution
分子名称: Probable transcriptional regulator
著者Kirillova, O, Chruszcz, M, Evdokimova, E, Kudritska, M, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2006-07-19
公開日2006-09-19
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of putative transcriptional regulator protein from Pseudomonas aeruginosa PA01 at 2.4 A resolution
To be Published
1ONO
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BU of 1ono by Molmil
IspC Mn2+ complex
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION
著者Steinbacher, S, Kaiser, J, Eisenreich, W, Huber, R, Bacher, A, Rohdich, F.
登録日2003-02-28
公開日2003-03-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of fosmidomycin action revealed by the complex with 2-C-methyl-D-erythritol 4-phosphate synthase (IspC). Implications for the catalytic mechanism and anti-malaria drug development.
J.BIOL.CHEM., 278, 2003
1P5A
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BU of 1p5a by Molmil
Conformational Mapping of the N-terminal Peptide of HIV-1 GP41 in lipid detergent and aqueous environments using 13C-enhanced Fourier Transform Infrared Spectroscopy
分子名称: Envelope polyprotein GP160
著者Gordon, L.M, Mobley, P.W, Lee, W, Eskandari, S, Kaznessis, Y.N, Sherman, M.A, Waring, A.J.
登録日2003-04-25
公開日2003-05-20
最終更新日2011-07-13
実験手法INFRARED SPECTROSCOPY
主引用文献Conformational mapping of the N-terminal peptide of HIV-1 gp41 in lipid detergent and aqueous environments using 13C-enhanced Fourier transform infrared spectroscopy.
Protein Sci., 13, 2004
3L1N
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BU of 3l1n by Molmil
Crystal structure of Mp1p ligand binding domain 2 complexd with palmitic acid
分子名称: Cell wall antigen, PALMITIC ACID
著者Liao, S, Tung, E.T, Zheng, W, Chong, K, Xu, Y, Bartlam, M, Rao, Z, Yuen, K.Y.
登録日2009-12-14
公開日2010-01-05
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of the Mp1p ligand binding domain 2 reveals its function as a fatty acid-binding protein.
J.Biol.Chem., 285, 2010
1OU6
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BU of 1ou6 by Molmil
Biosynthetic thiolase from Zoogloea ramigera in complex with acetyl-O-pantetheine-11-pivalate
分子名称: Acetyl-CoA acetyltransferase, PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACID, SULFATE ION
著者Kursula, P, Schmitz, W, Wierenga, R.K.
登録日2003-03-24
公開日2004-06-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The surprising binding mode of a coenzyme A analogue, O-pantetheine-11-pivalate, in the catalytic cavity of bacterial biosynthetic thiolase
To be Published
1OWJ
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BU of 1owj by Molmil
Substituted 2-Naphthamidine Inhibitors of Urokinase
分子名称: 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-3,4-DIHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE, Urokinase-type plasminogen activator
著者Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L.
登録日2003-03-28
公開日2003-09-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
3KVV
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BU of 3kvv by Molmil
Trapping of an oxocarbenium ion intermediate in UP crystals
分子名称: 1,4-anhydro-D-erythro-pent-1-enitol, 5-FLUOROURACIL, SULFATE ION, ...
著者Paul, D, O'Leary, S, Rajashankar, K, Bu, W, Toms, A, Settembre, E, Sanders, J, Begley, T.P, Ealick, S.E.
登録日2009-11-30
公開日2010-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
1OP4
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BU of 1op4 by Molmil
Solution Structure of Neural Cadherin Prodomain
分子名称: Neural-cadherin
著者Koch, A.W, Farooq, A, Shan, W, Zeng, L, Colman, D.R, Zhou, M.-M.
登録日2003-03-04
公開日2004-03-16
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Structure of the Neural (N-) Cadherin Prodomain Reveals a Cadherin Extracellular Domain-like Fold without Adhesive Characteristics
Structure, 12, 2004
2HRO
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BU of 2hro by Molmil
Structure of the full-lenght Enzyme I of the PTS system from Staphylococcus carnosus
分子名称: Phosphoenolpyruvate-protein phosphotransferase, SULFATE ION
著者Marquez, J.A, Reinelt, S, Koch, B, Engelman, R, Hengstenberg, W, Scheffzek, K.
登録日2006-07-20
公開日2006-09-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the full-length enzyme I of the phosphoenolpyruvate-dependent sugar phosphotransferase system
J.Biol.Chem., 281, 2006
7WTJ
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BU of 7wtj by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv286
分子名称: Heavy chain of XGv286, Light chain of XGv286, Spike protein S1
著者Wang, X, Fu, W.
登録日2022-02-04
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
3L1B
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BU of 3l1b by Molmil
Complex Structure of FXR Ligand-binding domain with a tetrahydroazepinoindole compound
分子名称: 1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Farnesoid X receptor
著者Xu, W, Lundquist, J.T.
登録日2009-12-11
公開日2010-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Improvement of Physiochemical Properties of the Tetrahydroazepinoindole Series of Farnesoid X Receptor (FXR) Agonists: Beneficial Modulation of Lipids in Primates.
J.Med.Chem., 53, 2010
7WTG
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BU of 7wtg by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv051
分子名称: Heavy chain of XGv051, Light chain of XGv051, Spike protein S1
著者Wang, X, Fu, W.
登録日2022-02-04
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
3FEH
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BU of 3feh by Molmil
Crystal structure of full length centaurin alpha-1
分子名称: Centaurin-alpha-1, UNKNOWN ATOM OR ION, ZINC ION
著者Shen, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2008-11-29
公開日2008-12-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Phosphorylation-independent dual-site binding of the FHA domain of KIF13 mediates phosphoinositide transport via centaurin {alpha}1.
Proc.Natl.Acad.Sci.USA, 107, 2010
7WTH
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BU of 7wth by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv264
分子名称: Heavy chain of XGv264, Light chain of XGv264, Spike protein S1
著者Wang, X, Fu, W.
登録日2022-02-04
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
2HH4
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BU of 2hh4 by Molmil
NMR structure of human insulin mutant GLY-B8-D-SER, HIS-B10-ASP PRO-B28-LYS, LYS-B29-PRO, 20 structures
分子名称: insulin A chain, insulin B chain
著者Hua, Q.X, Nakagawa, S, Hu, S.Q, Jia, W, Weiss, M.A.
登録日2006-06-27
公開日2006-07-18
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Toward the Active Conformation of Insulin: Stereospecific modulation of a structural switch in the B chain.
J.Biol.Chem., 281, 2006
2HHO
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BU of 2hho by Molmil
NMR structure of human insulin mutant GLY-B8-SER, HIS-B10-ASP PRO-B28-LYS, LYS-B29-PRO, 20 structures
分子名称: Insulin A chain, Insulin B chain
著者Hua, Q.X, Nakagawa, S, Hu, S.Q, Jia, W, Weiss, M.A.
登録日2006-06-28
公開日2006-07-18
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Toward the Active Conformation of Insulin: Stereospecific modulation of a structural switch in the B chain.
J.Biol.Chem., 281, 2006
7WTF
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BU of 7wtf by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab XGv051
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, Heavy chain of XGv051, ...
著者Wang, X, Fu, W.
登録日2022-02-04
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
2HHJ
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BU of 2hhj by Molmil
Human bisphosphoglycerate mutase complexed with 2,3-bisphosphoglycerate (15 days)
分子名称: (2R)-2,3-diphosphoglyceric acid, 3-PHOSPHOGLYCERIC ACID, Bisphosphoglycerate mutase, ...
著者Wang, Y, Gong, W.
登録日2006-06-28
公開日2006-10-24
最終更新日2016-07-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Seeing the process of histidine phosphorylation in human bisphosphoglycerate mutase.
J.Biol.Chem., 281, 2006
1QGN
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CYSTATHIONINE GAMMA-SYNTHASE FROM NICOTIANA TABACUM
分子名称: PROTEIN (CYSTATHIONINE GAMMA-SYNTHASE), PYRIDOXAL-5'-PHOSPHATE
著者Steegborn, C, Messerschmidt, A, Laber, B, Streber, W, Huber, R, Clausen, T.
登録日1999-05-02
公開日1999-08-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The crystal structure of cystathionine gamma-synthase from Nicotiana tabacum reveals its substrate and reaction specificity.
J.Mol.Biol., 290, 1999

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