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1X6W
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BU of 1x6w by Molmil
Solution Structure of the DNA Duplex TGCGCA:TGCGCA Capped by Trimethoxystilbene Residues
分子名称: 5'-D(*(TMS)P*TP*GP*CP*GP*CP*A)-3'
著者Tuma, J, Paulini, R, Sttz, J, Richert, C.
登録日2004-08-12
公開日2004-10-05
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献How much pi-stacking do DNA termini seek? Solution structure of a self-complementary DNA hexamer with trimethoxystilbenes capping the terminal base pairs.
Biochemistry, 43, 2004
1AY6
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BU of 1ay6 by Molmil
THROMBIN INHIBITOR FROM THEONALLA, CYCLOTHEANAMIDE-BASED MACROCYCLIC TRIPEPTIDE MOTIF
分子名称: HIRUGEN, THROMBIN HEAVY CHAIN, THROMBIN LIGHT CHAIN, ...
著者Ganesh, V, Maryanoff, B.E, Tulinsky, A.
登録日1997-11-14
公開日1998-03-18
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel thrombin inhibitors that are based on a macrocyclic tripeptide motif
Bioorg.Med.Chem.Lett., 6, 1996
1DR9
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BU of 1dr9 by Molmil
CRYSTAL STRUCTURE OF A SOLUBLE FORM OF B7-1 (CD80)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, T LYMPHOCYTE ACTIVATION ANTIGEN
著者Ikemizu, S, Jones, E.Y, Stuart, D.I, Davis, S.J.
登録日2000-01-06
公開日2000-01-10
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure and dimerization of a soluble form of B7-1.
Immunity, 12, 2000
2B52
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BU of 2b52 by Molmil
Human cyclin dependent kinase 2 (CDK2) complexed with DPH-042562
分子名称: 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA, Cell division protein kinase 2
著者Muckelbauer, J.
登録日2005-09-27
公開日2005-10-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Synthesis and Evaluation of Indenopyrazoles as Cyclin-Dependent Kinase Inhibitors. Part 4: Heterocycles at C3
Bioorg.Med.Chem.Lett., 14, 2004
1CTJ
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BU of 1ctj by Molmil
CRYSTAL STRUCTURE OF CYTOCHROME C6
分子名称: CYTOCHROME C6, PROTOPORPHYRIN IX CONTAINING FE
著者Sheldrick, G.M.
登録日1995-08-08
公開日1996-06-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Ab initio determination of the crystal structure of cytochrome c6 and comparison with plastocyanin.
Structure, 3, 1995
1E29
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BU of 1e29 by Molmil
PSII associated cytochrome C549 from Synechocystis sp.
分子名称: CALCIUM ION, CYTOCHROME C549, HEME C
著者Frazao, C, Enguita, F.J, Coelho, R, Sheldrick, G.M.
登録日2000-05-19
公開日2001-05-04
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Crystal Structure of Low-Potential Cytochrome C549 from Synechocystis Sp. Pcc 6803 at 1.21A Resolution
J.Biol.Inorg.Chem., 6, 2001
2B23
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BU of 2b23 by Molmil
Human estrogen receptor alpha ligand-binding domain and a glucocorticoid receptor-interacting protein 1 NR box II peptide
分子名称: Estrogen receptor, Nuclear receptor coactivator 2
著者Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L.
登録日2005-09-16
公開日2006-09-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2AXI
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BU of 2axi by Molmil
HDM2 in complex with a beta-hairpin
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, SULFATE ION, Ubiquitin-protein ligase E3 Mdm2, ...
著者Mittl, P.R.E, Fasan, R, Robinson, J, Gruetter, M.G.
登録日2005-09-05
公開日2006-03-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Activity Studies in a Family of beta-Hairpin Protein Epitope Mimetic Inhibitors of the p53-HDM2 Protein-Protein Interaction.
Chembiochem, 7, 2006
2AUX
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BU of 2aux by Molmil
Cathepsin K complexed with a semicarbazone inhibitor
分子名称: (1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-1-FORMYLPENTYL]CARBAMATE, Cathepsin K
著者Adkison, K.K, Barrett, D.G, Deaton, D.N, Gampe, R.T, Hassell, A.M, Long, S.T, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M.
登録日2005-08-29
公開日2006-08-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors?
Bioorg.Med.Chem.Lett., 16, 2006
170L
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BU of 170l by Molmil
PROTEIN FLEXIBILITY AND ADAPTABILITY SEEN IN 25 CRYSTAL FORMS OF T4 LYSOZYME
分子名称: BETA-MERCAPTOETHANOL, T4 LYSOZYME
著者Zhang, X.-J, Weaver, L.H, Wozniak, A, Matthews, B.W.
登録日1995-03-24
公開日1995-07-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Protein flexibility and adaptability seen in 25 crystal forms of T4 lysozyme.
J.Mol.Biol., 250, 1995
174L
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BU of 174l by Molmil
PROTEIN FLEXIBILITY AND ADAPTABILITY SEEN IN 25 CRYSTAL FORMS OF T4 LYSOZYME
分子名称: SULFATE ION, T4 LYSOZYME
著者Zhang, X.-J, Matthews, B.W.
登録日1995-03-24
公開日1995-07-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Protein flexibility and adaptability seen in 25 crystal forms of T4 lysozyme.
J.Mol.Biol., 250, 1995
1A0U
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BU of 1a0u by Molmil
HEMOGLOBIN (VAL BETA1 MET) MUTANT
分子名称: HEMOGLOBIN (ALPHA CHAIN), HEMOGLOBIN (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
著者Kavanaugh, J.S, Arnone, A.
登録日1997-12-08
公開日1998-03-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献High-resolution crystal structures of human hemoglobin with mutations at tryptophan 37beta: structural basis for a high-affinity T-state,.
Biochemistry, 37, 1998
1AI4
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BU of 1ai4 by Molmil
PENICILLIN ACYLASE COMPLEXED WITH 3,4-DIHYDROXYPHENYLACETIC ACID
分子名称: 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID, CALCIUM ION, PENICILLIN AMIDOHYDROLASE
著者Done, S.H.
登録日1997-05-01
公開日1997-11-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Ligand-induced conformational change in penicillin acylase.
J.Mol.Biol., 284, 1998
171L
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BU of 171l by Molmil
PROTEIN FLEXIBILITY AND ADAPTABILITY SEEN IN 25 CRYSTAL FORMS OF T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Heinz, D, Matthews, B.W.
登録日1995-03-24
公開日1995-07-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Protein flexibility and adaptability seen in 25 crystal forms of T4 lysozyme.
J.Mol.Biol., 250, 1995
1ZDA
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BU of 1zda by Molmil
PHAGE-SELECTED MINI PROTEIN A DOMAIN, Z38, NMR, 24 STRUCTURES
分子名称: MINI PROTEIN A DOMAIN, Z38
著者Starovasnik, M.A.
登録日1997-07-09
公開日1997-09-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural mimicry of a native protein by a minimized binding domain.
Proc.Natl.Acad.Sci.USA, 94, 1997
2B54
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BU of 2b54 by Molmil
Human cyclin dependent kinase 2 (CKD2)complexed with DIN-232305
分子名称: 6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE, Cell division protein kinase 2
著者Chang, C.-C.
登録日2005-09-27
公開日2005-10-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Synthesis and biological evaluation of 1-aryl-4,5-dihydro-1h-pyraxolo[3,4-d]pyrimidin-4-one inhibitors of cyclin dependent kinases
J.Med.Chem., 47, 2004
1ERR
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BU of 1err by Molmil
HUMAN ESTROGEN RECEPTOR LIGAND-BINDING DOMAIN IN COMPLEX WITH RALOXIFENE
分子名称: ESTROGEN RECEPTOR, RALOXIFENE
著者Brzozowski, A.M, Pike, A.C.W.
登録日1997-09-08
公開日1998-09-16
最終更新日2013-05-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular basis of agonism and antagonism in the oestrogen receptor.
Nature, 389, 1997
2BDL
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BU of 2bdl by Molmil
Cathepsin K complexed with a pyrrolidine ketoamide-based inhibitor
分子名称: (3S)-1-{[(3,5-DIMETHYLISOXAZOL-4-YL)AMINO]CARBONYL}-4,4-DIMETHYLPYRROLIDIN-3-YL{(1S)-1-[1-HYDROXY-2-OXO-2-{[(1R)-1-PHENYLETHYL]AMINO}ETHYL]PENTYL}CARBAMATE, Cathepsin K
著者Shewchuk, L.M.
登録日2005-10-20
公開日2006-03-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2BPI
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BU of 2bpi by Molmil
Structure of Iron dependent superoxide dismutase from P. falciparum.
分子名称: FE (III) ION, FE-SUPEROXIDE DISMUTASE
著者Boucher, I.W, Brannigan, J, Wilkinson, A.J, Brzozowski, M.
登録日2005-04-20
公開日2006-10-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献The Crystal Structure of Superoxide Dismutase from Plasmodium Falciparum.
Bmc Struct.Biol., 6, 2006
2BF6
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Atomic Resolution Structure of the bacterial sialidase NanI from Clostridium perfringens in complex with alpha-Sialic Acid (Neu5Ac).
分子名称: CALCIUM ION, EXO-ALPHA-SIALIDASE, GLYCEROL, ...
著者Newstead, S, Taylor, G.L.
登録日2004-12-04
公開日2006-03-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献The Structure of Clostridium Perfringens Nani Sialidase and its Catalytic Intermediates.
J.Biol.Chem., 283, 2008
5T0W
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Crystal structure of the ancestral amino acid-binding protein AncCDT-1, a precursor of cyclohexadienyl dehydratase
分子名称: ARGININE, AncCDT-1
著者Clifton, B.E, Carr, P.D, Jackson, C.J.
登録日2016-08-16
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献To be published
To Be Published
5TGB
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BU of 5tgb by Molmil
Structure of chimeric 02-CB Fab, a VRC01-like germline antibody
分子名称: 02-CB Fab Heavy Chain, 02-CB Fab Light Chain
著者Pancera, M.
登録日2016-09-27
公開日2016-11-09
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.741 Å)
主引用文献Differences in Allelic Frequency and CDRH3 Region Limit the Engagement of HIV Env Immunogens by Putative VRC01 Neutralizing Antibody Precursors.
Cell Rep, 17, 2016
5TFS
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Structure of chimeric 02-K Fab, a VRC01-like germline antibody
分子名称: 02-K Fab Heavy chain, 02-K Fab Light chain, SULFATE ION
著者Pancera, M.
登録日2016-09-26
公開日2016-11-09
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.319 Å)
主引用文献Differences in Allelic Frequency and CDRH3 Region Limit the Engagement of HIV Env Immunogens by Putative VRC01 Neutralizing Antibody Precursors.
Cell Rep, 17, 2016
5THN
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Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2
分子名称: 2-hydroxycyclohepta-2,4,6-triene-1-thione, CITRIC ACID, Carbonic anhydrase 2, ...
著者Dick, B, Cohen, S.
登録日2016-09-29
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
5TQG
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Factor VIIa in complex with the inhibitor (5R,11R)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione
分子名称: (5R,11R)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A.
登録日2016-10-24
公開日2017-02-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors.
ACS Med Chem Lett, 8, 2017

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