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PDB: 34568 件

7SDC
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MI-09
分子名称: (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Yang, K.S, Liu, W.R.
登録日2021-09-29
公開日2022-11-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
1QKM
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HUMAN OESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH PARTIAL AGONIST GENISTEIN
分子名称: ESTROGEN RECEPTOR BETA, GENISTEIN
著者Pike, A.C.W, Brzozowski, A.M, Carlquist, M.
登録日1999-07-27
公開日2000-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the Ligand-Binding Domain of Oestrogen Receptor Beta in the Presence of a Partial Agonist and a Full Antagonist
Embo J., 18, 1999
1A6B
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NMR STRUCTURE OF THE COMPLEX BETWEEN THE ZINC FINGER PROTEIN NCP10 OF MOLONEY MURINE LEUKEMIA VIRUS AND A SEQUENCE OF THE PSI-PACKAGING DOMAIN OF HIV-1, 20 STRUCTURES
分子名称: DNA (5'-D(*AP*CP*GP*CP*C)-3'), ZINC FINGER PROTEIN NCP10, ZINC ION
著者Schueler, W, Dong, C.-Z, Wecker, K, Roques, B.P.
登録日1998-02-23
公開日1999-08-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure of the complex between the zinc finger protein NCp10 of Moloney murine leukemia virus and the single-stranded pentanucleotide d(ACGCC): comparison with HIV-NCp7 complexes.
Biochemistry, 38, 1999
4BDI
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BU of 4bdi by Molmil
Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
分子名称: 1,2-ETHANEDIOL, 1-acetyl-N-(5-methylpyridin-2-yl)piperidine-4-carboxamide, CHLORIDE ION, ...
著者Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M.
登録日2012-10-05
公開日2013-06-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
1AAB
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BU of 1aab by Molmil
NMR STRUCTURE OF RAT HMG1 HMGA FRAGMENT
分子名称: HIGH MOBILITY GROUP PROTEIN
著者Hardman, C.H, Broadhurst, R.W, Raine, A.R.C, Grasser, K.D, Thomas, J.O, Laue, E.D.
登録日1995-10-28
公開日1996-03-08
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the A-domain of HMG1 and its interaction with DNA as studied by heteronuclear three- and four-dimensional NMR spectroscopy.
Biochemistry, 34, 1995
6ISM
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BU of 6ism by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 mutant
分子名称: Butyrophilin subfamily 3 member A1
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-11-16
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
2R8Y
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BU of 2r8y by Molmil
Crystal structure of YrbI phosphatase from Escherichia coli in a complex with Ca
分子名称: CALCIUM ION, CHLORIDE ION, YrbI from Escherichia coli
著者Tsodikov, O.V, Aggarwal, P, Rubin, J.R, Stuckey, J.A, Woodard, R.W, Biswas, T.
登録日2007-09-11
公開日2008-09-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE.
J.Biol.Chem., 284, 2009
1A8M
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BU of 1a8m by Molmil
TUMOR NECROSIS FACTOR ALPHA, R31D MUTANT
分子名称: TUMOR NECROSIS FACTOR ALPHA
著者Reed, C, Fu, Z.-Q, Wu, J, Xue, Y.-N, Harrison, R.W, Chen, M.-J, Weber, I.T.
登録日1998-03-27
公開日1998-06-17
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of TNF-alpha mutant R31D with greater affinity for receptor R1 compared with R2.
Protein Eng., 10, 1997
4BDB
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BU of 4bdb by Molmil
Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
分子名称: 1,2-ETHANEDIOL, 4-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]benzene-1,3-diol, NITRATE ION, ...
著者Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M.
登録日2012-10-05
公開日2013-06-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
1SAN
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BU of 1san by Molmil
THE DES(1-6)ANTENNAPEDIA HOMEODOMAIN: COMPARISON OF THE NMR SOLUTION STRUCTURE AND THE DNA BINDING AFFINITY WITH THE INTACT ANTENNAPEDIA HOMEODOMAIN
分子名称: ANTENNAPEDIA PROTEIN
著者Qian, Y.Q, Resendez-Perez, D, Gehring, W.J, Wuthrich, K.
登録日1994-01-07
公開日1994-04-30
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The des(1-6)antennapedia homeodomain: comparison of the NMR solution structure and the DNA-binding affinity with the intact Antennapedia homeodomain.
Proc.Natl.Acad.Sci.USA, 91, 1994
3HHL
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BU of 3hhl by Molmil
Crystal structure of methylated RPA0582 protein
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Sledz, P, Niedzialkowska, E, Chruszcz, M, Porebski, P, Yim, V, Kudritska, M, Zimmerman, M.D, Evdokimova, E, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2009-05-15
公開日2009-07-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of methylated RPA0582 protein
To be Published
4ZUO
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BU of 4zuo by Molmil
Crystal structure of acetylpolyamine amidohydrolase from Mycoplana ramosa in complex with a hydroxamate inhibitor
分子名称: 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide, AMMONIUM ION, Acetylpolyamine aminohydrolase, ...
著者Decroos, C, Christianson, D.W.
登録日2015-05-17
公開日2015-07-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Design, Synthesis, and Evaluation of Polyamine Deacetylase Inhibitors, and High-Resolution Crystal Structures of Their Complexes with Acetylpolyamine Amidohydrolase.
Biochemistry, 54, 2015
7YRG
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BU of 7yrg by Molmil
histone methyltransferase
分子名称: DNA (146-MER), Histone H2A.Z, Histone H2B 1.1, ...
著者Li, H, Wang, W.Y.
登録日2022-08-09
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural insight into H4K20 methylation on H2A.Z-nucleosome by SUV420H1.
Mol.Cell, 83, 2023
1EAA
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BU of 1eaa by Molmil
ATOMIC STRUCTURE OF THE CUBIC CORE OF THE PYRUVATE DEHYDROGENASE MULTIENZYME COMPLEX
分子名称: DIHYDROLIPOYL-TRANSACETYLASE
著者Mattevi, A, Hol, W.G.J.
登録日1992-12-16
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystallographic analysis of substrate binding and catalysis in dihydrolipoyl transacetylase (E2p).
Biochemistry, 32, 1993
6IME
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BU of 6ime by Molmil
Rv2361c complex with substrate analogues
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid, CARBONATE ION, ...
著者Ko, T.-P, Guo, R.-T, Chen, C.-C, Liu, W.
登録日2018-10-22
公開日2019-09-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Substrate-analogue complex structure of Mycobacterium tuberculosis decaprenyl diphosphate synthase.
Acta Crystallogr.,Sect.F, 75, 2019
1SBN
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BU of 1sbn by Molmil
REFINED CRYSTAL STRUCTURES OF SUBTILISIN NOVO IN COMPLEX WITH WILD-TYPE AND TWO MUTANT EGLINS. COMPARISON WITH OTHER SERINE PROTEINASE INHIBITOR COMPLEXES
分子名称: CALCIUM ION, EGLIN C, SUBTILISIN NOVO BPN'
著者Gruetter, M.G, Heinz, D.W, Priestle, J.P.
登録日1991-12-20
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Refined crystal structures of subtilisin novo in complex with wild-type and two mutant eglins. Comparison with other serine proteinase inhibitor complexes.
J.Mol.Biol., 217, 1991
7SH9
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BU of 7sh9 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI86
分子名称: 3C-like proteinase nsp5, benzyl [(2S,3R)-1-({(2S)-1-[2-acetyl-2-(3-amino-3-oxopropyl)hydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)
著者Yang, K.S, Liu, W.R.
登録日2021-10-08
公開日2023-04-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of the SARS-CoV-2 main protease in complex with inhibitors
To Be Published
1EAE
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BU of 1eae by Molmil
ATOMIC STRUCTURE OF THE CUBIC CORE OF THE PYRUVATE DEHYDROGENASE MULTIENZYME COMPLEX
分子名称: 6,8-DIMERCAPTO-OCTANOIC ACID AMIDE, DIHYDROLIPOYL-TRANSACETYLASE
著者Mattevi, A, Hol, W.G.J.
登録日1992-12-16
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystallographic analysis of substrate binding and catalysis in dihydrolipoyl transacetylase (E2p).
Biochemistry, 32, 1993
7SH8
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BU of 7sh8 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI88
分子名称: 3C-like proteinase nsp5, benzyl [(2S,3R)-1-{[(2S)-1-(2-acetyl-2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}hydrazinyl)-3-cyclohexyl-1-oxopropan-2-yl]amino}-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)
著者Yang, K.S, Liu, W.R.
登録日2021-10-08
公開日2023-04-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the SARS-CoV-2 main protease in complex with inhibitors
To Be Published
1B1B
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IRON DEPENDENT REGULATOR
分子名称: PROTEIN (IRON DEPENDENT REGULATOR), SULFATE ION, ZINC ION
著者Pohl, E, Holmes, R.K, Hol, W.G.
登録日1998-11-19
公開日1999-12-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the iron-dependent regulator (IdeR) from Mycobacterium tuberculosis shows both metal binding sites fully occupied.
J.Mol.Biol., 285, 1999
1OZH
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BU of 1ozh by Molmil
The crystal structure of Klebsiella pneumoniae acetolactate synthase with enzyme-bound cofactor and with an unusual intermediate.
分子名称: 2-HYDROXYETHYL DIHYDROTHIACHROME DIPHOSPHATE, Acetolactate synthase, catabolic, ...
著者Pang, S.S, Duggleby, R.G, Schowen, R.L, Guddat, L.W.
登録日2003-04-09
公開日2003-11-04
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Crystal Structures of Klebsiella pneumoniae Acetolactate Synthase with Enzyme-bound Cofactor and with an Unusual Intermediate.
J.Biol.Chem., 279, 2004
1B4J
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BU of 1b4j by Molmil
COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF A HUMANIZED AND A CHIMERIC FAB OF AN ANTI-GAMMA-INTERFERON ANTIBODY
分子名称: ANTIBODY
著者Fan, Z, Shan, L, Goldsteen, B.Z, Guddat, L.W, Thakur, A, Landolfi, N.F, Co, M.S, Vasques, M, Queen, C, Ramsland, P.A, Edmundson, A.B.
登録日1998-12-22
公開日1999-06-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Comparison of the three-dimensional structures of a humanized and a chimeric Fab of an anti-gamma-interferon antibody.
J.Mol.Recog., 12, 1999
5E04
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Crystal structure of Andes virus nucleoprotein
分子名称: Nucleoprotein
著者Guo, Y, Wang, W.M, Lou, Z.Y.
登録日2015-09-28
公開日2015-12-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of the Core Region of Hantavirus Nucleocapsid Protein Reveals the Mechanism for Ribonucleoprotein Complex Formation
J.Virol., 90, 2015
7SHB
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI79
分子名称: 3C-like proteinase nsp5, benzyl [(2S)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-4-methyl-1-oxopentan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]carbamate (non-preferred name)
著者Yang, K.S, Liu, W.R.
登録日2021-10-08
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of the SARS-CoV-2 main protease in complex with inhibitors
To Be Published
3ERP
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Structure of IDP01002, a putative oxidoreductase from and essential gene of Salmonella typhimurium
分子名称: 1,2-ETHANEDIOL, CACODYLATE ION, CHLORIDE ION, ...
著者Singer, A.U, Minasov, G, Evdokimova, E, Brunzelle, J.S, Kudritska, M, Edwards, A.M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2008-10-02
公開日2008-11-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural and biochemical studies of novel aldo-keto reductases for the biocatalytic conversion of 3-hydroxybutanal to 1,3-butanediol.
Appl.Environ.Microbiol., 2017

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