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3BXN
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BU of 3bxn by Molmil
The high resolution crystal structure of HLA-B*1402 complexed with a Cathepsin A signal sequence peptide, pCatA
Descriptor: Cathepsin A signal sequence octapeptide, GLYCEROL, HLA-B*1402 extracellular domain, ...
Authors:Kumar, P, Vahedi-Faridi, A, Saenger, W, Uchanska-Ziegler, B, Ziegler, A.
Deposit date:2008-01-14
Release date:2009-02-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.864 Å)
Cite:Structural basis for T cell alloreactivity among three HLA-B14 and HLA-B27 antigens
J.Biol.Chem., 284, 2009
3I06
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BU of 3i06 by Molmil
Crystal structure of cruzain covalently bound to a purine nitrile
Descriptor: 6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile, Cruzipain
Authors:Ferreira, R.S, Shoichet, B.K, McKerrow, J.H.
Deposit date:2009-06-24
Release date:2009-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Identification and optimization of inhibitors of trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB.
J.Med.Chem., 53, 2010
2K6G
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BU of 2k6g by Molmil
Solution structure of the DNA binding BRCT domain from the large subunit of human Replication Factor C
Descriptor: Replication factor C subunit 1
Authors:Kobayashi, M, Siegal, G, Ab, E, Bonvin, A.M.J.J.
Deposit date:2008-07-09
Release date:2009-09-22
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the DNA bound BRCT domain from human Replication Factor C p140
To be Published
2K8R
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BU of 2k8r by Molmil
Solution structure of human acidic fibroblast growth factor in complex with anti-angiogenic drug inositol hexaphosphate (IP6)
Descriptor: Heparin-binding growth factor 1, INOSITOL HEXAKISPHOSPHATE
Authors:Kumar, S.M, Mohan, S.K, Chin, Y.
Deposit date:2008-09-22
Release date:2009-10-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of human acidic fibroblast growth factor in complex with anti-angiogenic drug inositol hexaphosphate (IP6)
To be Published
3BQI
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BU of 3bqi by Molmil
Structure of a chondroitin sulphate binding DBL3X from a var2csa encoded PfEMP1 protein
Descriptor: Erythrocyte membrane protein 1, GLYCEROL
Authors:Higgins, M.K.
Deposit date:2007-12-20
Release date:2008-06-24
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of a chondroitin sulfate-binding domain important in placental malaria.
J.Biol.Chem., 283, 2008
3CBR
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BU of 3cbr by Molmil
Crystal structure of human Transthyretin (TTR) at pH3.5
Descriptor: Transthyretin
Authors:Mohamedmohaideen, N.N, Palaninathan, S.K, Snee, W.C, Kelly, J.W, C Sacchettini, J.
Deposit date:2008-02-22
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insight into pH-induced conformational changes within the native human transthyretin tetramer.
J.Mol.Biol., 382, 2008
3BRA
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BU of 3bra by Molmil
BACE-1 complexed with compound 1
Descriptor: 4-(2-aminoethyl)phenol, Beta-secretase 1
Authors:Kuglstatter, A, Hennig, M.
Deposit date:2007-12-21
Release date:2008-03-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
2KB5
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BU of 2kb5 by Molmil
Solution NMR Structure of Eosinophil Cationic Protein/RNase 3
Descriptor: Eosinophil cationic protein
Authors:Rico, M, Bruix, M, Laurents, D.V, Santoro, J, Jimenez, M, Boix, E, Moussaoui, M, Nogues, M.
Deposit date:2008-11-20
Release date:2009-06-23
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:The (1)H, (13)C, (15)N resonance assignment, solution structure, and residue level stability of eosinophil cationic protein/RNase 3 determined by NMR spectroscopy
Biopolymers, 91, 2009
2KBS
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BU of 2kbs by Molmil
Solution structure of harmonin PDZ2 in complex with the carboxyl tail peptide of cadherin23
Descriptor: Harmonin, octameric peptide from Cadherin-23
Authors:Pan, L, Yan, J, Wu, L, Zhang, M.
Deposit date:2008-12-05
Release date:2009-03-31
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Assembling stable hair cell tip link complex via multidentate interactions between harmonin and cadherin 23
Proc.Natl.Acad.Sci.USA, 106, 2009
3BL9
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BU of 3bl9 by Molmil
Synthetic Gene Encoded DcpS bound to inhibitor DG157493
Descriptor: 5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine, Scavenger mRNA-decapping enzyme DcpS
Authors:Staker, B.L, Christensen, J, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
Deposit date:2007-12-10
Release date:2008-10-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:DcpS as a therapeutic target for spinal muscular atrophy.
Acs Chem.Biol., 3, 2008
3BTR
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BU of 3btr by Molmil
AR-NLS:Importin-alpha complex
Descriptor: Androgen receptor, Importin subunit alpha-2
Authors:Cutress, M.L, Whitaker, H.C, Mills, I.G, Stewart, M, Neal, D.E.
Deposit date:2007-12-30
Release date:2008-12-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the nuclear import of the human androgen receptor
J.Cell.Sci., 121, 2008
3BLR
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BU of 3blr by Molmil
Crystal Structure of Human CDK9/cyclinT1 in complex with Flavopiridol
Descriptor: 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Cell division protein kinase 9, Cyclin-T1, ...
Authors:Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N.
Deposit date:2007-12-11
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
3BUF
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BU of 3buf by Molmil
BACE-1 complexed with compound 2
Descriptor: 4-[(2R)-2-aminopropyl]phenol, Beta-secretase 1
Authors:Kuglstatter, A, Hennig, M.
Deposit date:2008-01-02
Release date:2008-03-11
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
3BUR
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BU of 3bur by Molmil
Crystal structure of Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP and TESTOSTERONE. RESOLUTION: 1.62 A.
Descriptor: 3-oxo-5-beta-steroid 4-dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Di Costanzo, L, Christianson, D.W.
Deposit date:2008-01-03
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis.
J.Biol.Chem., 283, 2008
3HW1
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BU of 3hw1 by Molmil
Structure of Bace (beta secretase) in complex with ligand EV2
Descriptor: 3-pyrrolidin-1-ylquinoxalin-2-amine, Beta-secretase 1, GLYCEROL
Authors:Godemann, R, Madden, J, Kramer, J, Smith, M.A, Barker, J, Ebneth, A.
Deposit date:2009-06-17
Release date:2009-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Fragment-Based Discovery of BACE1 Inhibitors Using Functional Assays
Biochemistry, 48, 2009
2X0B
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BU of 2x0b by Molmil
Crystal structure of human angiotensinogen complexed with renin
Descriptor: ANGIOTENSINOGEN, RENIN
Authors:Zhou, A, Wei, Z, Yan, Y, Carrell, R.W, Read, R.J.
Deposit date:2009-12-08
Release date:2010-10-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (4.33 Å)
Cite:A Redox Switch in Angiotensinogen Modulates Angiotensin Release.
Nature, 468, 2010
3BZE
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BU of 3bze by Molmil
The human non-classical major histocompatibility complex molecule HLA-E
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ...
Authors:Hoare, H.L, Sullivan, L.C, Ely, L.K, Beddoe, T, Henderson, K.N, Lin, J, Clements, C.S, Reid, H.H, Brooks, A.G, Rossjohn, J.
Deposit date:2008-01-17
Release date:2008-04-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Subtle changes in peptide conformation profoundly affect recognition of the non-classical MHC class I molecule HLA-E by the CD94-NKG2 natural killer cell receptors
J.Mol.Biol., 377, 2008
2KK0
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BU of 2kk0 by Molmil
Solution structure of dead ringer-like protein 1 (at-rich interactive domain-containing protein 3a) from homo sapiens, northeast structural genomics consortium (NESG) target hr4394c
Descriptor: AT-rich interactive domain-containing protein 3A
Authors:Liu, G, Wang, D, Nwosu, C, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-06-14
Release date:2009-07-14
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR structure of the ARID domain of human AT-rich interactive domain-containing protein 3A: a human cancer protein interaction network target.
Proteins, 78, 2010
3C2L
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BU of 3c2l by Molmil
Ternary complex of DNA POLYMERASE BETA with a C:DAPCPP mismatch in the active site
Descriptor: 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, DNA (5'-D(*DCP*DCP*DGP*DAP*DCP*DCP*DGP*DCP*DGP*DCP*DAP*DTP*DCP*DAP*DGP*DC)-3'), DNA (5'-D(*DGP*DCP*DTP*DGP*DAP*DTP*DGP*DCP*DGP*DC)-3'), ...
Authors:Batra, V.K, Beard, W.A, Shock, D.D, Pedersen, L.C, Wilson, S.H.
Deposit date:2008-01-25
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of DNA polymerase beta with active-site mismatches suggest a transient abasic site intermediate during misincorporation.
Mol.Cell, 30, 2008
3C3C
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BU of 3c3c by Molmil
Crystal Structure of human phosphoglycerate kinase bound to 3-phosphoglycerate and L-CDP
Descriptor: 3-PHOSPHOGLYCERIC ACID, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L.
Deposit date:2008-01-28
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis for the lack of enantioselectivity of human 3-phosphoglycerate kinase
Nucleic Acids Res., 36, 2008
2K4P
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BU of 2k4p by Molmil
Solution Structure of Ship2-Sam
Descriptor: Phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase 2
Authors:Leone, M, Pellecchia, M.
Deposit date:2008-06-16
Release date:2008-11-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR Studies of a Heterotypic Sam-Sam Domain Association: The Interaction between the Lipid Phosphatase Ship2 and the EphA2 Receptor.
Biochemistry, 47, 2008
3C5N
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BU of 3c5n by Molmil
Structure of human TULP1 in complex with IP3
Descriptor: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Tubby-related protein 1
Authors:Busam, R.D, Lehtio, L, Arrowsmith, C.H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC)
Deposit date:2008-01-31
Release date:2008-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of human TULP1 in complex with IP3
To be published
2KA6
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BU of 2ka6 by Molmil
NMR structure of the CBP-TAZ2/STAT1-TAD complex
Descriptor: CREB-binding protein, Signal transducer and activator of transcription 1-alpha/beta, ZINC ION
Authors:Wojciak, J.M, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
Deposit date:2008-10-30
Release date:2009-04-07
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structural basis for recruitment of CBP/p300 coactivators by STAT1 and STAT2 transactivation domains.
Embo J., 28, 2009
2KBR
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BU of 2kbr by Molmil
Solution structure of harmonin N terminal domain in complex with a internal peptide of cadherin23
Descriptor: 18-meric peptide from Cadherin-23, Harmonin
Authors:Pan, L, Yan, J, Wu, L, Zhang, M.
Deposit date:2008-12-05
Release date:2009-03-31
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Assembling stable hair cell tip link complex via multidentate interactions between harmonin and cadherin 23
Proc.Natl.Acad.Sci.USA, 106, 2009
3BL1
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BU of 3bl1 by Molmil
Carbonic anhydrase inhibitors. Sulfonamide diuretics revisited old leads for new applications
Descriptor: 4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide, Carbonic anhydrase 2, MERCURY (II) ION, ...
Authors:Temperini, C, Cecchi, A, Supuran, C.T.
Deposit date:2007-12-10
Release date:2008-07-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Carbonic anhydrase inhibitors. Interaction of indapamide and related diuretics with 12 mammalian isozymes and X-ray crystallographic studies for the indapamide-isozyme II adduct.
Bioorg.Med.Chem.Lett., 18, 2008

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