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1EUB
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BU of 1eub by Molmil
SOLUTION STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN COLLAGENASE-3 (MMP-13) COMPLEXED TO A POTENT NON-PEPTIDIC SULFONAMIDE INHIBITOR
Descriptor: 1-METHYLOXY-4-SULFONE-BENZENE, 3-METHYLPYRIDINE, CALCIUM ION, ...
Authors:Zhang, X, Gonnella, N.C, Koehn, J, Pathak, N, Ganu, V, Melton, R, Parker, D, Hu, S.I, Nam, K.Y.
Deposit date:2000-04-14
Release date:2001-04-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the catalytic domain of human collagenase-3 (MMP-13) complexed to a potent non-peptidic sulfonamide inhibitor: binding comparison with stromelysin-1 and collagenase-1.
J.Mol.Biol., 301, 2000
2AGV
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BU of 2agv by Molmil
Crystal structure of the SR CA2+-ATPASE with BHQ and TG
Descriptor: 2,5-DITERT-BUTYLBENZENE-1,4-DIOL, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ...
Authors:Toyoshima, C, Obara, K, Norimatsu, Y.
Deposit date:2005-07-27
Release date:2005-10-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inaugural Article: Structural role of countertransport revealed in Ca2+ pump crystal structure in the absence of Ca2+.
Proc.Natl.Acad.Sci.USA, 102, 2005
6G7A
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BU of 6g7a by Molmil
Crystal structure of human carbonic anhydrase isozyme XII 2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-~{N}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2018-04-05
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Eur J Med Chem, 156, 2018
3A8A
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BU of 3a8a by Molmil
Crystal Structure of Trypsin complexed with 4-formylbenzimidamide and aniline
Descriptor: 4-formylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
1I94
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BU of 1i94 by Molmil
CRYSTAL STRUCTURES OF THE SMALL RIBOSOMAL SUBUNIT WITH TETRACYCLINE, EDEINE AND IF3
Descriptor: 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
Authors:Pioletti, M, Schluenzen, F, Harms, J, Zarivach, R, Gluehmann, M, Avila, H, Bartels, H, Jacobi, C, Hartsch, T, Yonath, A, Franceschi, F.
Deposit date:2001-03-18
Release date:2001-04-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3.
EMBO J., 20, 2001
1I97
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BU of 1i97 by Molmil
CRYSTAL STRUCTURE OF THE 30S RIBOSOMAL SUBUNIT FROM THERMUS THERMOPHILUS IN COMPLEX WITH TETRACYCLINE
Descriptor: 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
Authors:Pioletti, M, Schluenzen, F, Harms, J, Zarivach, R, Gluehmann, M, Avila, H, Bartels, H, Jacobi, C, Hartsch, T, Yonath, A, Franceschi, F.
Deposit date:2001-03-18
Release date:2001-04-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3.
EMBO J., 20, 2001
4BUT
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BU of 4but by Molmil
Crystal structure of human tankyrase 2 in complex with 4-(4-oxo-3,4- dihydroquinazolin-2-yl)benzene-1-sulfonamide
Descriptor: 4-(4-oxidanylidene-3H-quinazolin-2-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Haikarainen, T, Narwal, M, Lehtio, L.
Deposit date:2013-06-24
Release date:2013-10-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
1I96
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BU of 1i96 by Molmil
CRYSTAL STRUCTURE OF THE 30S RIBOSOMAL SUBUNIT FROM THERMUS THERMOPHILUS IN COMPLEX WITH THE TRANSLATION INITIATION FACTOR IF3 (C-TERMINAL DOMAIN)
Descriptor: 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
Authors:Pioletti, M, Schluenzen, F, Harms, J, Zarivach, R, Gluehmann, M, Avila, H, Bartels, H, Jacobi, C, Hartsch, T, Yonath, A, Franceschi, F.
Deposit date:2001-03-18
Release date:2001-04-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3.
EMBO J., 20, 2001
1I95
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BU of 1i95 by Molmil
CRYSTAL STRUCTURE OF THE 30S RIBOSOMAL SUBUNIT FROM THERMUS THERMOPHILUS IN COMPLEX WITH EDEINE
Descriptor: 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
Authors:Pioletti, M, Schluenzen, F, Harms, J, Zarivach, R, Gluehmann, M, Avila, H, Bartels, H, Jacobi, C, Hartsch, T, Yonath, A, Franceschi, F.
Deposit date:2001-03-18
Release date:2001-04-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3.
EMBO J., 20, 2001
1NKW
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BU of 1nkw by Molmil
Crystal Structure Of The Large Ribosomal Subunit From Deinococcus Radiodurans
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L11, 50S ribosomal protein L13, ...
Authors:Harms, J.M, Schluenzen, F, Zarivach, R, Bashan, A, Gat, S, Agmon, I, Bartels, H, Franceschi, F, Yonath, A.
Deposit date:2003-01-05
Release date:2003-02-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:High resolution structure of the large ribosomal subunit from a mesophilic eubacterium
Cell(Cambridge,Mass.), 107, 2001
2Z94
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BU of 2z94 by Molmil
Complex structure of SARS-CoV 3C-like protease with TDT
Descriptor: 4-methylbenzene-1,2-dithiol, Replicase polyprotein 1ab, ZINC ION
Authors:Lee, C.C, Wang, A.H.
Deposit date:2007-09-17
Release date:2007-12-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural basis of mercury- and zinc-conjugated complexes as SARS-CoV 3C-like protease inhibitors
Febs Lett., 581, 2007
6KHP
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BU of 6khp by Molmil
Crystal structure of Oryza sativa TDC with PLP and tryptamine
Descriptor: 2-(1H-INDOL-3-YL)ETHANAMINE, ACETATE ION, CALCIUM ION, ...
Authors:Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X.
Deposit date:2019-07-16
Release date:2020-07-15
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis.
J Adv Res, 24, 2020
8EJN
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BU of 8ejn by Molmil
Structure of dehaloperoxidase A in complex with 2,4-dichlorophenol
Descriptor: 2,4-dichlorophenol, DIMETHYL SULFOXIDE, Dehaloperoxidase A, ...
Authors:Aktar, M.S, de Serrano, V.S, Franzen, S.
Deposit date:2022-09-17
Release date:2023-08-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.481 Å)
Cite:Comparative study of the binding and activation of 2,4-dichlorophenol by dehaloperoxidase A and B.
J.Inorg.Biochem., 247, 2023
8OQI
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BU of 8oqi by Molmil
Cryo-EM structure of the wild-type alpha-synuclein fibril.
Descriptor: Alpha-synuclein
Authors:Pesch, V, Reithofer, S, Ma, L, Flores-Fernandez, J.M, Oezduezenciler, P, Busch, Y, Lien, Y, Rudtke, O, Frieg, B, Schroeder, G.F, Wille, H, Tamgueney, G.
Deposit date:2023-04-12
Release date:2024-03-13
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Vaccination with structurally adapted fungal protein fibrils induces immunity to Parkinson's disease.
Brain, 147, 2024
1D5T
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BU of 1d5t by Molmil
GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR, ALPHA-ISOFORM
Descriptor: GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR, SULFATE ION
Authors:Peng, L, Zeng, K, Heine, A, Moyer, B, Greasley, S.E, Kuhn, P, Balch, W.E, Wilson, I.A.
Deposit date:1999-10-11
Release date:2000-10-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:A new functional domain of guanine nucleotide dissociation inhibitor (alpha-GDI) involved in Rab recycling.
Traffic, 1, 2000
6L3R
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BU of 6l3r by Molmil
Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 4-bromo-N-((1S,2R)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide
Descriptor: 4-bromo-N-((1S,2R)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide, ACETATE ION, MAGNESIUM ION, ...
Authors:Miyahara, S, Chong, K.T, Suzuki, T.
Deposit date:2019-10-15
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity
To be published
1CQP
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BU of 1cqp by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE COMPLEX LFA-1 (CD11A) I-DOMAIN / LOVASTATIN AT 2.6 A RESOLUTION
Descriptor: ANTIGEN CD11A (P180), LOVASTATIN, MAGNESIUM ION
Authors:Kallen, J, Welzenbach, K, Ramage, P, Geyl, D, Kriwacki, R, Legge, G, Cottens, S, Weitz-Schmidt, G, Hommel, U.
Deposit date:1999-08-10
Release date:2000-08-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for LFA-1 inhibition upon lovastatin binding to the CD11a I-domain.
J.Mol.Biol., 292, 1999
1CWQ
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BU of 1cwq by Molmil
M INTERMEDIATE STRUCTURE OF THE WILD TYPE BACTERIORHODOPSIN IN COMBINATION WITH THE GROUND STATE STRUCTURE
Descriptor: BACTERIORHODOPSIN ("M" STATE INTERMEDIATE IN COMBINATION WITH GROUND STATE), HEXANE, N-OCTANE, ...
Authors:Sass, H.J, Berendzen, J, Neff, D, Gessenich, R, Ormos, P, Bueldt, G.
Deposit date:1999-08-26
Release date:1999-10-20
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural alterations for proton translocation in the M state of wild-type bacteriorhodopsin.
Nature, 406, 2000
5JBD
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BU of 5jbd by Molmil
4,6-alpha-glucanotransferase GTFB from Lactobacillus reuteri 121
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Pijning, T, Dijkstra, B.W, Bai, Y, Gangoiti-Munecas, J, Dijkhuizen, L.
Deposit date:2016-04-13
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of 4,6-alpha-Glucanotransferase Supports Diet-Driven Evolution of GH70 Enzymes from alpha-Amylases in Oral Bacteria.
Structure, 25, 2017
1P9X
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BU of 1p9x by Molmil
THE CRYSTAL STRUCTURE OF THE 50S LARGE RIBOSOMAL SUBUNIT FROM DEINOCOCCUS RADIODURANS COMPLEXED WITH TELITHROMYCIN KETOLIDE ANTIBIOTIC
Descriptor: 23S RIBOSOMAL RNA, TELITHROMYCIN
Authors:Berisio, R, Harms, J, Schluenzen, F, Zarivach, R, Hansen, H.A, Fucini, P, Yonath, A.
Deposit date:2003-05-13
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural insight into the antibiotic action of telithromycin against resistant mutants
J.Bacteriol., 185, 2003
7M74
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BU of 7m74 by Molmil
ATP-bound AMP-activated protein kinase
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Yan, Y, Mukherjee, S, Harikumar, K.G, Strutzenberg, T, Zhou, X.E, Powell, S.K, Xu, T, Sheldon, R, Lamp, J, Brunzelle, J.S, Radziwon, K, Ellis, A, Novick, S.J, Vega, I.E, Jones, R, Miller, L.J, Xu, H.E, Griffin, P.R, Kossiakoff, A.A, Melcher, K.
Deposit date:2021-03-26
Release date:2021-12-15
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:Structure of an AMPK complex in an inactive, ATP-bound state.
Science, 373, 2021
1E4K
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BU of 1e4k by Molmil
CRYSTAL STRUCTURE OF SOLUBLE HUMAN IGG1 FC FRAGMENT-FC-GAMMA RECEPTOR III COMPLEX
Descriptor: FC FRAGMENT OF HUMAN IGG1, LOW AFFINITY IMMUNOGLOBULIN GAMMA FC RECEPTOR III, alpha-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sondermann, P, Huber, R, Oosthuizen, V, Jacob, U.
Deposit date:2000-07-07
Release date:2000-08-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The 3.2A Crystal Structure of the Human Igg1 Fc Fragment-Fc-Gamma-Riii Complex
Nature, 406, 2000
7LOB
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BU of 7lob by Molmil
T4 lysozyme mutant L99A in complex with 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene
Descriptor: 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
Authors:Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
Deposit date:2021-02-09
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
1OND
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BU of 1ond by Molmil
THE CRYSTAL STRUCTURE OF THE 50S LARGE RIBOSOMAL SUBUNIT FROM DEINOCOCCUS RADIODURANS COMPLEXED WITH TROLEANDOMYCIN MACROLIDE ANTIBIOTIC
Descriptor: 23S RIBOSOMAL RNA, 50S ribosomal protein L22, 50S ribosomal protein L32, ...
Authors:Berisio, R, Schluenzen, F, Harms, J, Bashan, A, Auerbach, T, Baram, D, Yonath, A.
Deposit date:2003-02-27
Release date:2003-04-15
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural insight into the role of the ribosomal tunnel in cellular regulation
Nat.Struct.Biol., 10, 2003
1DV4
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BU of 1dv4 by Molmil
PARTIAL STRUCTURE OF 16S RNA OF THE SMALL RIBOSOMAL SUBUNIT FROM THERMUS THERMOPHILUS
Descriptor: 16S RIBOSOMAL RNA, OCTADECATUNGSTENYL DIPHOSPHATE, RIBOSOMAL PROTEIN S5, ...
Authors:Tocilj, A, Schlunzen, F, Janell, D, Gluhmann, M, Hansen, H, Harms, J, Bashan, A, Bartels, H, Agmon, I, Franceschi, F, Yonath, A.
Deposit date:2000-01-19
Release date:2000-02-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:The small ribosomal subunit from Thermus thermophilus at 4.5 A resolution: pattern fittings and the identification of a functional site.
Proc.Natl.Acad.Sci.USA, 96, 1999

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數據於2024-10-16公開中

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