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3KW9
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X-ray structure of Cathepsin K covalently bound to a triazine ligand
分子名称: 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile, Cathepsin K, trifluoroacetic acid
著者Uitdehaag, J.C.M, van Zeeland, M.
登録日2009-12-01
公開日2010-03-02
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3B3V
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BU of 3b3v by Molmil
Crystal structure of the S228A mutant of the aminopeptidase from Vibrio proteolyticus
分子名称: Bacterial leucyl aminopeptidase, SODIUM ION, THIOCYANATE ION, ...
著者Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D.
登録日2007-10-22
公開日2007-11-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus.
Biochemistry, 47, 2008
2KRD
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BU of 2krd by Molmil
Solution Structure of the Regulatory Domain of Human Cardiac Troponin C in Complex with the Switch Region of cardiac Troponin I and W7
分子名称: CALCIUM ION, N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE, Troponin C, ...
著者Oleszczuk, M, Robertson, I.M, Li, M.X, Sykes, B.D.
登録日2009-12-16
公開日2010-02-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the regulatory domain of human cardiac troponin C in complex with the switch region of cardiac troponin I and W7: the basis of W7 as an inhibitor of cardiac muscle contraction.
J.MOL.CELL.CARDIOL., 48, 2010
3B6R
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BU of 3b6r by Molmil
Crystal structure of Human Brain-type Creatine Kinase
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Creatine kinase B-type, ...
著者Bong, S.M, Moon, J.H, Hwang, K.Y.
登録日2007-10-29
公開日2008-11-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural studies of human brain-type creatine kinase complexed with the ADP-Mg2+-NO3- -creatine transition-state analogue complex
Febs Lett., 582, 2008
3B4M
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BU of 3b4m by Molmil
Crystal Structure of Human PABPN1 RRM
分子名称: Polyadenylate-binding protein 2
著者Ge, H, Zhou, D, Teng, M, Niu, L.
登録日2007-10-24
公開日2008-01-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Crystal structure and possible dimerization of the single RRM of human PABPN1
Proteins, 71, 2008
3BC3
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BU of 3bc3 by Molmil
Exploring inhibitor binding at the S subsites of cathepsin L
分子名称: Cathepsin L heavy and light chains, S-benzyl-N-(biphenyl-4-ylacetyl)-L-cysteinyl-N~5~-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)-L-tyrosinamide
著者Chowdhury, S.F, Joseph, L, Kumar, S, Tulsidas, S.R, Bhat, S, Ziomek, E, Nard, R.M, Sivaraman, J, Purisima, E.O.
登録日2007-11-12
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Exploring inhibitor binding at the S' subsites of cathepsin L
J.Med.Chem., 51, 2008
3BCH
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BU of 3bch by Molmil
Crystal Structure of the Human Laminin Receptor Precursor
分子名称: 40S ribosomal protein SA
著者Jamieson, K.V, Wu, J, Hubbard, S.R, Meruelo, D.
登録日2007-11-12
公開日2007-12-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of the human laminin receptor precursor.
J.Biol.Chem., 283, 2008
3B68
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Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-4
分子名称: (2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide, Androgen receptor
著者Bohl, C.E, Miller, D.D, Dalton, J.T.
登録日2007-10-27
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3KWV
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Structural basis for the unfolding of anthrax lethal factor by protective antigen oligomers
分子名称: CALCIUM ION, Lethal factor, Protective antigen PA-63
著者Feld, G.K, Kintzer, A.F, Krantz, B.A.
登録日2009-12-01
公開日2010-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Structural basis for the unfolding of anthrax lethal factor by protective antigen oligomers.
Nat.Struct.Mol.Biol., 17, 2010
2KSR
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BU of 2ksr by Molmil
NMR structures of TM domain of the n-Acetylcholine receptor b2 subunit
分子名称: Neuronal acetylcholine receptor subunit beta-2
著者Bondarenko, V, Tillman, T, Xu, Y, Tang, P.
登録日2010-01-12
公開日2010-06-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure of the transmembrane domain of the n-acetylcholine receptor beta2 subunit.
Biochim.Biophys.Acta, 1798, 2010
2KUM
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Solution structure of the human chemokine CCL27
分子名称: C-C motif chemokine 27
著者Kirkpatrick, J.P, Jansma, A, Hsu, A, Handel, T.M, Nietlispach, D.
登録日2010-02-22
公開日2010-03-02
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献NMR analysis of the structure, dynamics, and unique oligomerization properties of the chemokine CCL27.
J.Biol.Chem., 285, 2010
3D4D
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Crystal structure of Staphylococcal nuclease variant Delta+PHS Y91E at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Khangulov, V.S, Schlessman, J.L, Garcia-Moreno, E.B.
登録日2008-05-14
公開日2008-11-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS Y91E at cryogenic temperature.
To be Published
3D4N
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BU of 3d4n by Molmil
Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Sulfonamide Inhibitor
分子名称: 1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wang, Z, Liu, J, Sudom, A, Walker, N.P.
登録日2008-05-14
公開日2008-07-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Novel, Potent Benzamide Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1) Exhibiting Oral Activity in an Enzyme Inhibition ex Vivo Model
J.Med.Chem., 51, 2008
2KR6
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Solution structure of presenilin-1 CTF subunit
分子名称: Presenilin-1
著者Doetsch, V.
登録日2009-12-04
公開日2010-04-28
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution structure of presenilin-1 CTF subunit
To be Published
3CM7
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BU of 3cm7 by Molmil
Crystal Structure of XIAP-BIR3 domain in complex with Smac-mimetic compuond, Smac005
分子名称: (3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 4, ZINC ION
著者Mastrangelo, E, Cossu, F, Milani, M.
登録日2008-03-21
公開日2008-10-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Targeting the X-linked inhibitor of apoptosis protein through 4-substituted azabicyclo[5.3.0]alkane smac mimetics. Structure, activity, and recognition principles.
J.Mol.Biol., 384, 2008
3L1F
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BU of 3l1f by Molmil
Bovine AlphaA crystallin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-crystallin A chain
著者Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2009-12-11
公開日2010-05-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Crystal structures of truncated alphaA and alphaB crystallins reveal structural mechanisms of polydispersity important for eye lens function.
Protein Sci., 19, 2010
2KVU
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BU of 2kvu by Molmil
Solution NMR Structure of SAP domain of MKL/myocardin-like protein 1 from H.sapiens, Northeast Structural Genomics Consortium Target Target HR4547E
分子名称: MKL/myocardin-like protein 1
著者Liu, G, Xiao, R, Janjua, J, Acton, T.B, Mao, B, Everett, J, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2010-03-28
公開日2010-04-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Northeast Structural Genomics Consortium Target HR4547E
To be Published
2XM9
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Structure of a small molecule inhibitor with the kinase domain of Chk2
分子名称: 4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
著者Caldwell, J.J, Welsh, E.J, Matijssen, C, Anderson, V.E, Antoni, L, Boxall, K, Urban, F, Hayes, A, Raynaud, F.I, Rigoreau, L.J, Raynham, T, Aherne, G.W, Pearl, L.H, Oliver, A.W, Garrett, M.D, Collins, I.
登録日2010-07-26
公開日2011-01-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2.
J.Med.Chem., 54, 2011
3KSE
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Unreduced cathepsin L in complex with stefin A
分子名称: Cathepsin L1, Cystatin-A
著者Renko, M, Turk, D.
登録日2009-11-22
公開日2010-12-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Unreduced cathepsin L in complex with stefin A
To be Published
3L1E
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Bovine AlphaA crystallin Zinc Bound
分子名称: Alpha-crystallin A chain, GLYCEROL, ZINC ION
著者Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2009-12-11
公開日2010-05-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystal structures of truncated alphaA and alphaB crystallins reveal structural mechanisms of polydispersity important for eye lens function.
Protein Sci., 19, 2010
2XVG
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BU of 2xvg by Molmil
crystal structure of alpha-xylosidase (GH31) from Cellvibrio japonicus
分子名称: 1,2-ETHANEDIOL, ALPHA XYLOSIDASE, CHLORIDE ION, ...
著者Larsbrink, J, Izumi, A, Ibatullin, F, Nakhai, A, Gilbert, H.J, Davies, G.J, Brumer, H.
登録日2010-10-26
公開日2011-04-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and Enzymatic Characterisation of a Glycoside Hydrolase Family 31 Alpha-Xylosidase from Cellvibrio Japonicus Involved in Xyloglucan Saccharification.
Biochem.J., 436, 2011
3L1K
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SAD structure solution of proteinase K grown in potassium tellurate solution
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Orthotelluric acid, ...
著者Jakoncic, J.
登録日2009-12-11
公開日2010-12-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献SAD structure solution of proteinase K grown in potassium tellurate solution
To be Published
3LE9
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Crystal structure of the catalytic domain of TACE with Indazolinone-phenyl-hydantoin inhibitor
分子名称: (5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione, Disintegrin and metalloproteinase domain-containing protein 17, ISOPROPYL ALCOHOL, ...
著者Orth, P.
登録日2010-01-14
公開日2010-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Biaryl substituted hydantoin compounds as TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3LFL
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Crystal Structure of human Glutathione Transferase Omega 1, delta 155
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLUTATHIONE, Glutathione S-transferase omega-1
著者Brock, J.
登録日2010-01-18
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Novel folding and stability defects cause a deficiency of human glutathione transferase omega 1.
J.Biol.Chem., 286, 2011
3D07
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Human p53 core domain with hot spot mutation R249S (III)
分子名称: Cellular tumor antigen p53, ZINC ION
著者Suad, O, Rozenberg, H, Shakked, Z.
登録日2008-05-01
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of restoring sequence-specific DNA binding and transactivation to mutant p53 by suppressor mutations
J.Mol.Biol., 385, 2009

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