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4F3W
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Crystal structure of cytidine deaminase Cdd from Mycobacterium marinum
分子名称: Cytidine deaminase Cdd, ZINC ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-05-09
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4F47
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BU of 4f47 by Molmil
The Structure of Enoyl-CoA hydratase EchA19 from Mycobacterium marinum
分子名称: Enoyl-CoA hydratase EchA19
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-05-10
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4FFC
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BU of 4ffc by Molmil
Crystal structure of a 4-aminobutyrate aminotransferase (GabT) from Mycobacterium abscessus
分子名称: 1,2-ETHANEDIOL, 4-aminobutyrate aminotransferase (GabT)
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-05-31
公開日2012-06-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4FB8
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BU of 4fb8 by Molmil
Crystal Structure of apo Acyl-CoA Carboxylase
分子名称: Probable propionyl-CoA carboxylase beta chain 6
著者Reddy, M.C.M, Bruning, J.B, Sherekar, M, Valluru, S, Ehrenfeld, H, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2012-05-22
公開日2014-02-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure, Activity, and Inhibition of the Carboxyltransferase beta-Subunit of Acetyl Coenzyme A Carboxylase (AccD6) from Mycobacterium tuberculosis.
Antimicrob.Agents Chemother., 58, 2014
6V4R
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BU of 6v4r by Molmil
Crystal structure of a chimeric MR78-like antibody chimera-1 Fab
分子名称: Chimera-1 Fab heavy chain, Chimera-1 Fab light chain
著者Bozhanova, N.G, Crowe, J.E, Meiler, J.
登録日2019-11-28
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.48 Å)
主引用文献Discovery of Marburg virus neutralizing antibodies from virus-naive human antibody repertoires using large-scale structural predictions.
Proc.Natl.Acad.Sci.USA, 117, 2020
6V4Q
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BU of 6v4q by Molmil
Crystal structure of a MR78-like antibody naive-1 Fab
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Naive-1 Fab heavy chain, ...
著者Bozhanova, N.G, Crowe, J.E, Meiler, J.
登録日2019-11-28
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Discovery of Marburg virus neutralizing antibodies from virus-naive human antibody repertoires using large-scale structural predictions.
Proc.Natl.Acad.Sci.USA, 117, 2020
1PSV
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BU of 1psv by Molmil
COMPUTATIONALLY DESIGNED PEPTIDE WITH A BETA-BETA-ALPHA FOLD SELECTION, NMR, 32 STRUCTURES
分子名称: PDA8D
著者Dahiyat, B.I, Sarisky, C.A, Mayo, S.L.
登録日1997-10-29
公開日1998-01-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献De novo protein design: towards fully automated sequence selection.
J.Mol.Biol., 273, 1997
1N0X
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BU of 1n0x by Molmil
Crystal Structure of a Broadly Neutralizing Anti-HIV-1 Antibody in Complex with a Peptide Mimotope
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, B2.1 peptide, GLYCEROL, ...
著者Saphire, E.O, Montero, M, Menendez, A, Irving, M.B, Zwick, M.B, Parren, P.W.H.I, Burton, D.R, Scott, J.K, Wilson, I.A.
登録日2002-10-15
公開日2004-04-13
最終更新日2017-06-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of a Broadly Neutralizing Anti-HIV-1 Antibody in Complex with a Peptide Mimotope
To be Published
1P7A
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BU of 1p7a by Molmil
Solution Structure of the Third Zinc Finger from BKLF
分子名称: Kruppel-like factor 3, ZINC ION
著者Simpson, R.J.Y, Cram, E.D, Czolij, R, Matthews, J.M, Crossley, M, Mackay, J.P.
登録日2003-04-30
公開日2003-12-30
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献CCHX zinc finger derivatives retain the ability to bind Zn(II) and mediate protein-DNA interactions.
J.Biol.Chem., 278, 2003
1P7G
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BU of 1p7g by Molmil
Crystal structure of superoxide dismutase from Pyrobaculum aerophilum
分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, Superoxide dismutase
著者Lee, S, Sawaya, M.R, Eisenberg, D.
登録日2003-05-01
公開日2003-12-02
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 superoxide dismutase from Pyrobaculum aerophilum presents a challenging case in molecular replacement with multiple molecules, pseudo-symmetry and twinning.
Acta Crystallogr.,Sect.D, 59, 2003
2QAR
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BU of 2qar by Molmil
Structure of the 2TEL crystallization module fused to T4 lysozyme with a helical linker.
分子名称: AMMONIUM ION, E80-TELSAM domain, Lysozyme, ...
著者Nauli, S, Bowie, J.U.
登録日2007-06-15
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Polymer-driven crystallization.
Protein Sci., 16, 2007
2QI3
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BU of 2qi3 by Molmil
Crystal structure of protease inhibitor, MIT-2-AD94 in complex with wild type HIV-1 protease
分子名称: (2S)-N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-2-HYDROXY-3-METHYLBUTANAMIDE, PHOSPHATE ION, Protease
著者Nalam, M.N.L, Schiffer, C.A.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2QI1
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BU of 2qi1 by Molmil
Crystal structure of protease inhibitor, MIT-1-KK81 in complex with wild type HIV-1 protease
分子名称: N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3,4-DIHYDROXYBENZAMIDE, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2QTB
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BU of 2qtb by Molmil
Human dipeptidyl peptidase iv/cd26 in complex with a 4-aryl cyclohexylalanine inhibitor
分子名称: (2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2007-08-01
公開日2007-11-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献4-Arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 17, 2007
2QS3
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BU of 2qs3 by Molmil
Crystal structure of the GluR5 ligand binding core dimer in complex with UBP316 at 1.76 Angstroms resolution
分子名称: 3-({3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)-5-phenylthiophene-2-carboxylic acid, CHLORIDE ION, Glutamate receptor, ...
著者Alushin, G.M, Jane, D.E, Mayer, M.L.
登録日2007-07-30
公開日2008-08-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献ACET is a highly potent and specific kainate receptor antagonist: characterisation and effects on hippocampal mossy fibre function.
Neuropharmacology, 56, 2009
2QHY
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BU of 2qhy by Molmil
Crystal Structure of protease inhibitor, MIT-1-AC86 in complex with wild type HIV-1 protease
分子名称: ACETATE ION, N~2~-ACETYL-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-L-ALANINAMIDE, PHOSPHATE ION, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2QHZ
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BU of 2qhz by Molmil
Crystal structure of protease inhibitor, MIT-1-AC87 in complex with wild type HIV-1 protease
分子名称: (2E)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-4,4,4-TRIFLUORO-3-METHYLBUT-2-ENAMIDE, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2R2L
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BU of 2r2l by Molmil
Structure of Farnesyl Protein Transferase bound to PB-93
分子名称: FARNESYL DIPHOSPHATE, Farnesyltransferase subunit alpha, Farnesyltransferase subunit beta, ...
著者Strickland, C.O, Voorhis, W.
登録日2007-08-27
公開日2008-03-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase.
Antimicrob.Agents Chemother., 51, 2007
2QI0
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Crystal structure of protease inhibitor, MIT-1-KK80 in complex with wild type HIV-1 protease
分子名称: N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3-FLUORO-2-METHYLBENZAMIDE, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
4XY2
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BU of 4xy2 by Molmil
Crystal structure of PDE10A in complex with ASP9436
分子名称: 1-methyl-5-(1-methyl-3-{[4-(1-methyl-1H-benzimidazol-4-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one, MAGNESIUM ION, ZINC ION, ...
著者Amano, Y, Honbou, K.
登録日2015-02-02
公開日2015-06-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Addressing phototoxicity observed in a novel series of biaryl derivatives: Discovery of potent, selective and orally active phosphodiesterase 10A inhibitor ASP9436
Bioorg.Med.Chem., 23, 2015
2YZ4
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BU of 2yz4 by Molmil
The neutron structure of concanavalin A at 2.2 Angstroms
分子名称: CALCIUM ION, Concanavalin A, MANGANESE (II) ION
著者Ahmed, H.U, Blakeley, M.P, Cianci, M, Hubbard, J.A, Helliwell, J.R.
登録日2007-05-02
公開日2008-02-05
最終更新日2023-10-25
実験手法NEUTRON DIFFRACTION (2.2 Å)
主引用文献The determination of protonation states in proteins.
Acta Crystallogr.,Sect.D, 63, 2007
7QGC
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BU of 7qgc by Molmil
H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 5.5
分子名称: 5,6-DIBROMOBENZOTRIAZOLE, CITRATE ANION, Casein kinase II subunit alpha, ...
著者Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J.
登録日2021-12-08
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes.
Sci Rep, 12, 2022
7QGD
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BU of 7qgd by Molmil
H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 8.5
分子名称: 5,6-DIBROMOBENZOTRIAZOLE, CHLORIDE ION, Casein kinase II subunit alpha, ...
著者Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J.
登録日2021-12-08
公開日2022-10-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes.
Sci Rep, 12, 2022
7QGE
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H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6,7,8-TETRABROMOBENZOTRIAZOLE (TBBt) AT PH 8.5
分子名称: 4,5,6,7-TETRABROMOBENZOTRIAZOLE, CHLORIDE ION, Casein kinase II subunit alpha, ...
著者Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J.
登録日2021-12-08
公開日2022-10-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes.
Sci Rep, 12, 2022
7QGB
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H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 6.5
分子名称: 5,6-DIBROMOBENZOTRIAZOLE, Casein kinase II subunit alpha
著者Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J.
登録日2021-12-08
公開日2022-10-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes.
Sci Rep, 12, 2022

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