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2HBL
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BU of 2hbl by Molmil
Structure of the yeast nuclear exosome component, Rrp6p, reveals an interplay between the active site and the HRDC domain; Protein in complex with Mn, Zn, and AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Exosome complex exonuclease RRP6, MANGANESE (II) ION, ...
Authors:Midtgaard, S.F, Assenholt, J, Jonstrup, A.T, Van, L.B, Jensen, T.H, Brodersen, D.E.
Deposit date:2006-06-14
Release date:2006-07-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the nuclear exosome component Rrp6p reveals an interplay between the active site and the HRDC domain.
Proc.Natl.Acad.Sci.Usa, 103, 2006
5BUU
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BU of 5buu by Molmil
Crystal structure of the GluA2 ligand-binding domain (L483Y-N754S) in complex with glutamate and BPAM-321 at 2.07 A resolution
Descriptor: (3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, 1,2-ETHANEDIOL, GLUTAMIC ACID, ...
Authors:Larsen, A.P, Tapken, D, Frydenvang, K, Kastrup, J.S.
Deposit date:2015-06-04
Release date:2016-02-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Synthesis and Pharmacology of Mono-, Di-, and Trialkyl-Substituted 7-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides Combined with X-ray Structure Analysis to Understand the Unexpected Structure-Activity Relationship at AMPA Receptors.
Acs Chem Neurosci, 7, 2016
2H1V
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BU of 2h1v by Molmil
Crystal structure of the Lys87Ala mutant variant of Bacillus subtilis ferrochelatase
Descriptor: Ferrochelatase, MAGNESIUM ION
Authors:Hansson, M.D, Karlberg, T, Arys Rahardja, M, Al-Karadaghi, S, Hansson, M.
Deposit date:2006-05-17
Release date:2007-01-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Amino Acid Residues His183 and Glu264 in Bacillus subtilis Ferrochelatase Direct and Facilitate the Insertion of Metal Ion into Protoporphyrin IX
Biochemistry, 46, 2007
3D83
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BU of 3d83 by Molmil
Crystal structure of P38 kinase in complex with a biphenyl amide inhibitor
Descriptor: GLYCEROL, Mitogen-activated protein kinase 14, N-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide
Authors:Somers, D.O.
Deposit date:2008-05-22
Release date:2008-07-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Biphenyl amide p38 kinase inhibitors 4: DFG-in and DFG-out binding modes.
Bioorg.Med.Chem.Lett., 18, 2008
3CHO
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BU of 3cho by Molmil
Crystal structure of leukotriene a4 hydrolase in complex with 2-amino-N-[4-(phenylmethoxy)phenyl]-acetamide
Descriptor: ACETATE ION, Leukotriene A-4 hydrolase, N-[4-(benzyloxy)phenyl]glycinamide, ...
Authors:Thunnissen, M.M.G.M, Adler, M, Whitlow, M.
Deposit date:2008-03-10
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.
Bioorg.Med.Chem., 16, 2008
3CHP
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BU of 3chp by Molmil
Crystal structure of leukotriene a4 hydrolase in complex with (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid
Descriptor: (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid, ACETATE ION, IMIDAZOLE, ...
Authors:Thunnissen, M.M.G.M, Adler, M, Whitlow, M.
Deposit date:2008-03-10
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.
Bioorg.Med.Chem., 16, 2008
3D4J
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BU of 3d4j by Molmil
Crystal structure of Human mevalonate diphosphate decarboxylase
Descriptor: Diphosphomevalonate decarboxylase, SULFATE ION
Authors:Voynova, N.E, Fu, Z, Battaile, K, Herdendorf, T.J, Kim, J.-J.P, Miziorko, H.M.
Deposit date:2008-05-14
Release date:2008-12-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human mevalonate diphosphate decarboxylase: characterization, investigation of the mevalonate diphosphate binding site, and crystal structure.
Arch.Biochem.Biophys., 480, 2008
2HM7
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BU of 2hm7 by Molmil
Crystal Structure Analysis of the G84S EST2 mutant
Descriptor: Carboxylesterase, SULFATE ION
Authors:Menchise, V, Alterio, V, De Simone, G.
Deposit date:2006-07-11
Release date:2007-06-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional and structural features of the oxyanion hole in a thermophilic esterase from Alicyclobacillus acidocaldarius.
Proteins, 71, 2007
3NNW
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BU of 3nnw by Molmil
Crystal structure of P38 alpha in complex with DP802
Descriptor: 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14
Authors:Abendroth, J.
Deposit date:2010-06-24
Release date:2010-09-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
4PO7
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BU of 4po7 by Molmil
Structure of the Sortilin:neurotensin complex at excess neurotensin concentration
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neurotensin/neuromedin N, Sortilin, ...
Authors:Quistgaard, E.M, Groftehauge, M.K, Thirup, S.S.
Deposit date:2014-02-25
Release date:2014-07-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Revisiting the structure of the Vps10 domain of human sortilin and its interaction with neurotensin.
Protein Sci., 23, 2014
3DHZ
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BU of 3dhz by Molmil
Apo (iron free) structure of C. ammoniagenes R2 protein
Descriptor: FE (II) ION, Ribonucleotide reductase subunit R2F
Authors:Hogbom, M, Nordlund, P.
Deposit date:2008-06-19
Release date:2008-07-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural and mutational studies of the carboxylate cluster in Iron-free Ribonucleotide Reductase R2.
Biochemistry, 43, 2004
3DTG
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BU of 3dtg by Molmil
Structural analysis of mycobacterial branched chain aminotransferase- implications for inhibitor design
Descriptor: Branched-chain amino acid aminotransferase, GLYCEROL, O-benzylhydroxylamine, ...
Authors:Castell, A, Unge, T.
Deposit date:2008-07-15
Release date:2009-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of mycobacterial branched chain aminotransferase - implications for inhibitor design
To be Published
2OZQ
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BU of 2ozq by Molmil
Crystal Structure of apo-MUP
Descriptor: CADMIUM ION, Novel member of the major urinary protein (Mup) gene family, SODIUM ION
Authors:Dennis, C.A, Homans, S.W, Phillips, S.E.V, Syme, N.R.
Deposit date:2007-02-27
Release date:2008-01-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Origin of heat capacity changes in a "nonclassical" hydrophobic interaction.
Chembiochem, 8, 2007
4QDL
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BU of 4qdl by Molmil
Crystal structure of E.coli Cas1-Cas2 complex
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2
Authors:Tamulaitiene, G, Sinkunas, T, Silanskas, A, Gasiunas, G, Grazulis, S, Siksnys, V.
Deposit date:2014-05-14
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of E.coli Cas1-Cas2 complex
To be Published
4QF9
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BU of 4qf9 by Molmil
Structure of GluK1 ligand-binding domain (S1S2) in complex with (S)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid at 2.28 A resolution
Descriptor: (2S)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Kristensen, C.M, Frydenvang, K, Kastrup, J.S.
Deposit date:2014-05-20
Release date:2015-04-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Binding Mode of an alpha-Amino Acid-Linked Quinoxaline-2,3-dione Analogue at Glutamate Receptor Subtype GluK1.
ACS Chem Neurosci, 6, 2015
3ECN
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BU of 3ecn by Molmil
Crystal structure of PDE8A catalytic domain in complex with IBMX
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ...
Authors:Wang, H, Yan, Z, Yang, S, Cai, J, Robinson, H, Ke, H.
Deposit date:2008-09-01
Release date:2008-11-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Kinetic and structural studies of phosphodiesterase-8A and implication on the inhibitor selectivity
Biochemistry, 47, 2008
3EFX
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BU of 3efx by Molmil
Novel binding site identified in a hybrid between cholera toxin and heat-labile enterotoxin, 1.9A crystal structure reveals the details
Descriptor: Cholera enterotoxin subunit B, Heat-labile enterotoxin B chain, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]beta-D-glucopyranose
Authors:Holmner, A, Lebens, M, Teneberg, S, Angstrom, J, Okvist, M, Krengel, U.
Deposit date:2008-09-10
Release date:2008-09-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Novel binding site identified in a hybrid between cholera toxin and heat-labile enterotoxin: 1.9 A crystal structure reveals the details
Structure, 12, 2004
4P3A
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BU of 4p3a by Molmil
Crystal structure of the mouse C5a anaphylatoxin
Descriptor: Complement C5, FORMIC ACID
Authors:Yatime, L, Schatz-Jakobsen, J.A, Andersen, G.R.
Deposit date:2014-03-06
Release date:2014-06-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural and functional characterization of human and murine C5a anaphylatoxins.
Acta Crystallogr. D Biol. Crystallogr., 70, 2014
4PC3
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BU of 4pc3 by Molmil
Elongation factor Tu:Ts complex with partially bound GDP
Descriptor: Elongation factor Ts, Elongation factor Tu 1, GLYCEROL, ...
Authors:Thirup, S.S.
Deposit date:2014-04-14
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8313 Å)
Cite:Structural outline of the detailed mechanism for elongation factor Ts-mediated guanine nucleotide exchange on elongation factor Tu.
J.Struct.Biol., 191, 2015
2Q3J
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BU of 2q3j by Molmil
Crystal structure of the His183Ala variant of Bacillus subtilis ferrochelatase in complex with N-Methyl Mesoporphyrin
Descriptor: Ferrochelatase, MAGNESIUM ION, N-METHYL PROTOPORPHYRIN IX 2,4-DISULFONIC ACID
Authors:Karlberg, T, Thorvaldsen, O.H, Al-Karadaghi, S.
Deposit date:2007-05-30
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Porphyrin binding and distortion and substrate specificity in the ferrochelatase reaction: the role of active site residues
J.Mol.Biol., 378, 2008
4P2Y
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BU of 4p2y by Molmil
Crystal structure of the human RAGE ectodomain (fragment VC1C2) in complex with mouse S100A6
Descriptor: ACETATE ION, Advanced glycosylation end product-specific receptor, CALCIUM ION, ...
Authors:Yatime, L, Andersen, G.R.
Deposit date:2014-03-05
Release date:2015-03-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Structure of the RAGE:S100A6 Complex Reveals a Unique Mode of Homodimerization for S100 Proteins.
Structure, 2016
1YO5
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BU of 1yo5 by Molmil
Analysis of the 2.0A crystal structure of the protein-DNA complex of human PDEF Ets domain bound to the prostate specific antigen regulatory site
Descriptor: Enhancer site of Prostate Specific Antigen Promoter Region, SAM pointed domain containing ets transcription factor
Authors:Wang, Y, Feng, L, Said, M, Balderman, S, Fayazi, Z, Liu, Y, Ghosh, D, Gulick, A.M.
Deposit date:2005-01-26
Release date:2005-05-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Analysis of the 2.0 A Crystal Structure of the Protein-DNA Complex of the Human PDEF Ets Domain Bound to the Prostate Specific Antigen Regulatory Site
Biochemistry, 44, 2005
3ECM
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BU of 3ecm by Molmil
Crystal structure of the unliganded PDE8A catalytic domain
Descriptor: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ZINC ION
Authors:Wang, H, Yan, Z, Yang, S, Cai, J, Robinson, H, Ke, H.
Deposit date:2008-09-01
Release date:2008-11-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Kinetic and structural studies of phosphodiesterase-8A and implication on the inhibitor selectivity
Biochemistry, 47, 2008
4PC7
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BU of 4pc7 by Molmil
Elongation factor Tu:Ts complex in a near GTP conformation.
Descriptor: (1S,2S,3E,5E,7E,10S,11S,12S)-12-[(2R,4E,6E,8Z,10R,12E,14E,16Z,18S,19Z)-10,18-DIHYDROXY-12,16,19-TRIMETHYL-11,22-DIOXOOX ACYCLODOCOSA-4,6,8,12,14,16,19-HEPTAEN-2-YL]-2,11-DIHYDROXY-1,10-DIMETHYL-9-OXOTRIDECA-3,5,7-TRIEN-1-YL 6-DEOXY-2,4-DI-O-METHYL-BETA-L-GALACTOPYRANOSIDE, Elongation factor Ts, Elongation factor Tu 1, ...
Authors:Thirup, S.S.
Deposit date:2014-04-14
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.6003 Å)
Cite:Structural outline of the detailed mechanism for elongation factor Ts-mediated guanine nucleotide exchange on elongation factor Tu.
J.Struct.Biol., 191, 2015
1ZZL
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BU of 1zzl by Molmil
Crystal structure of P38 with triazolopyridine
Descriptor: 6-[4-(4-FLUOROPHENYL)-1,3-OXAZOL-5-YL]-3-ISOPROPYL[1,2,4]TRIAZOLO[4,3-A]PYRIDINE, Mitogen-activated protein kinase 14
Authors:McClure, K.F, Han, S.
Deposit date:2005-06-14
Release date:2005-09-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Theoretical and Experimental Design of Atypical Kinase Inhibitors: Application to p38 MAP Kinase.
J.Med.Chem., 48, 2005

238582

數據於2025-07-09公開中

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