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3KW9
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X-ray structure of Cathepsin K covalently bound to a triazine ligand
Descriptor: 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile, Cathepsin K, trifluoroacetic acid
Authors:Uitdehaag, J.C.M, van Zeeland, M.
Deposit date:2009-12-01
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Bacterial leucyl aminopeptidase, SODIUM ION, THIOCYANATE ION, ...
Authors:Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D.
Deposit date:2007-10-22
Release date:2007-11-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.22 Å)
Cite: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
Descriptor: CALCIUM ION, N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE, Troponin C, ...
Authors:Oleszczuk, M, Robertson, I.M, Li, M.X, Sykes, B.D.
Deposit date:2009-12-16
Release date:2010-02-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Creatine kinase B-type, ...
Authors:Bong, S.M, Moon, J.H, Hwang, K.Y.
Deposit date:2007-10-29
Release date:2008-11-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Polyadenylate-binding protein 2
Authors:Ge, H, Zhou, D, Teng, M, Niu, L.
Deposit date:2007-10-24
Release date:2008-01-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.82 Å)
Cite: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
Descriptor: Cathepsin L heavy and light chains, S-benzyl-N-(biphenyl-4-ylacetyl)-L-cysteinyl-N~5~-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)-L-tyrosinamide
Authors:Chowdhury, S.F, Joseph, L, Kumar, S, Tulsidas, S.R, Bhat, S, Ziomek, E, Nard, R.M, Sivaraman, J, Purisima, E.O.
Deposit date:2007-11-12
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 40S ribosomal protein SA
Authors:Jamieson, K.V, Wu, J, Hubbard, S.R, Meruelo, D.
Deposit date:2007-11-12
Release date:2007-12-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: (2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-27
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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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BU of 3kwv by Molmil
Structural basis for the unfolding of anthrax lethal factor by protective antigen oligomers
Descriptor: CALCIUM ION, Lethal factor, Protective antigen PA-63
Authors:Feld, G.K, Kintzer, A.F, Krantz, B.A.
Deposit date:2009-12-01
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.101 Å)
Cite: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
Descriptor: Neuronal acetylcholine receptor subunit beta-2
Authors:Bondarenko, V, Tillman, T, Xu, Y, Tang, P.
Deposit date:2010-01-12
Release date:2010-06-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of the transmembrane domain of the n-acetylcholine receptor beta2 subunit.
Biochim.Biophys.Acta, 1798, 2010
2KUM
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BU of 2kum by Molmil
Solution structure of the human chemokine CCL27
Descriptor: C-C motif chemokine 27
Authors:Kirkpatrick, J.P, Jansma, A, Hsu, A, Handel, T.M, Nietlispach, D.
Deposit date:2010-02-22
Release date:2010-03-02
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:NMR analysis of the structure, dynamics, and unique oligomerization properties of the chemokine CCL27.
J.Biol.Chem., 285, 2010
3D4D
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BU of 3d4d by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS Y91E at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Khangulov, V.S, Schlessman, J.L, Garcia-Moreno, E.B.
Deposit date:2008-05-14
Release date:2008-11-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 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
Authors:Wang, Z, Liu, J, Sudom, A, Walker, N.P.
Deposit date:2008-05-14
Release date:2008-07-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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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BU of 2kr6 by Molmil
Solution structure of presenilin-1 CTF subunit
Descriptor: Presenilin-1
Authors:Doetsch, V.
Deposit date:2009-12-04
Release date:2010-04-28
Last modified:2024-05-08
Method:SOLUTION NMR
Cite: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
Descriptor: (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
Authors:Mastrangelo, E, Cossu, F, Milani, M.
Deposit date:2008-03-21
Release date:2008-10-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-crystallin A chain
Authors:Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2009-12-11
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.53 Å)
Cite: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
Descriptor: MKL/myocardin-like protein 1
Authors:Liu, G, Xiao, R, Janjua, J, Acton, T.B, Mao, B, Everett, J, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-03-28
Release date:2010-04-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Northeast Structural Genomics Consortium Target HR4547E
To be Published
2XM9
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BU of 2xm9 by Molmil
Structure of a small molecule inhibitor with the kinase domain of Chk2
Descriptor: 4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
Authors: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.
Deposit date:2010-07-26
Release date:2011-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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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BU of 3kse by Molmil
Unreduced cathepsin L in complex with stefin A
Descriptor: Cathepsin L1, Cystatin-A
Authors:Renko, M, Turk, D.
Deposit date:2009-11-22
Release date:2010-12-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Unreduced cathepsin L in complex with stefin A
To be Published
2XVG
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BU of 2xvg by Molmil
crystal structure of alpha-xylosidase (GH31) from Cellvibrio japonicus
Descriptor: 1,2-ETHANEDIOL, ALPHA XYLOSIDASE, CHLORIDE ION, ...
Authors:Larsbrink, J, Izumi, A, Ibatullin, F, Nakhai, A, Gilbert, H.J, Davies, G.J, Brumer, H.
Deposit date:2010-10-26
Release date:2011-04-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Enzymatic Characterisation of a Glycoside Hydrolase Family 31 Alpha-Xylosidase from Cellvibrio Japonicus Involved in Xyloglucan Saccharification.
Biochem.J., 436, 2011
3L1E
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BU of 3l1e by Molmil
Bovine AlphaA crystallin Zinc Bound
Descriptor: Alpha-crystallin A chain, GLYCEROL, ZINC ION
Authors:Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2009-12-11
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structures of truncated alphaA and alphaB crystallins reveal structural mechanisms of polydispersity important for eye lens function.
Protein Sci., 19, 2010
3L1K
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BU of 3l1k by Molmil
SAD structure solution of proteinase K grown in potassium tellurate solution
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Orthotelluric acid, ...
Authors:Jakoncic, J.
Deposit date:2009-12-11
Release date:2010-12-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:SAD structure solution of proteinase K grown in potassium tellurate solution
To be Published
3LE9
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BU of 3le9 by Molmil
Crystal structure of the catalytic domain of TACE with Indazolinone-phenyl-hydantoin inhibitor
Descriptor: (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, ...
Authors:Orth, P.
Deposit date:2010-01-14
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biaryl substituted hydantoin compounds as TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3LFL
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BU of 3lfl by Molmil
Crystal Structure of human Glutathione Transferase Omega 1, delta 155
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLUTATHIONE, Glutathione S-transferase omega-1
Authors:Brock, J.
Deposit date:2010-01-18
Release date:2010-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel folding and stability defects cause a deficiency of human glutathione transferase omega 1.
J.Biol.Chem., 286, 2011
3D07
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BU of 3d07 by Molmil
Human p53 core domain with hot spot mutation R249S (III)
Descriptor: Cellular tumor antigen p53, ZINC ION
Authors:Suad, O, Rozenberg, H, Shakked, Z.
Deposit date:2008-05-01
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of restoring sequence-specific DNA binding and transactivation to mutant p53 by suppressor mutations
J.Mol.Biol., 385, 2009

223790

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