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473D
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BU of 473d by Molmil
NI2+/GUANINE INTERACTIONS AND NETROPSIN/GUANINE STACKING IN D(CGTATATACG)2
分子名称: DNA (5'-D(*CP*GP*TP*AP*TP*AP*TP*AP*CP*G)-3'), NETROPSIN, NICKEL (II) ION
著者Abrescia, N.G.A, Malinina, L, Subirana, J.A.
登録日1999-05-18
公開日1999-12-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Stacking interaction of guanine with netropsin in the minor groove of d(CGTATATACG)2.
J.Mol.Biol., 294, 1999
426D
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BU of 426d by Molmil
THE STRUCTURE OF MOST STUDIED DNA FRAGMENT CHANGES UNDER THE INFLUENCE OF IONS: A NEW PACKING OF D(CGCGAATTCGCG)
分子名称: 5'-D(CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', CALCIUM ION
著者Liu, J, Malinina, L, Subirana, J.A.
登録日1998-09-17
公開日1998-11-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structure of the most studied DNA fragment changes under the influence of ions: a new packing of d(CGCGAATTCGCG).
FEBS Lett., 438, 1998
2VA1
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BU of 2va1 by Molmil
Crystal structure of UMP kinase from Ureaplasma parvum
分子名称: PHOSPHATE ION, URIDYLATE KINASE
著者Egeblad-Welin, L, Welin, M, Wang, L, Eriksson, S.
登録日2007-08-28
公開日2007-09-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and Functional Investigations of Ureaplasma Parvum Ump Kinase - a Potential Antibacterial Drug Target
FEBS J., 274, 2007
1A7C
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BU of 1a7c by Molmil
HUMAN PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 IN COMPLEX WITH A PENTAPEPTIDE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-ribopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PENTAPEPTIDE, ...
著者Xue, Y, Inghardt, T, Sjolin, L, Deinum, J.
登録日1998-03-12
公開日1999-03-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Interfering with the inhibitory mechanism of serpins: crystal structure of a complex formed between cleaved plasminogen activator inhibitor type 1 and a reactive-centre loop peptide
Structure, 6, 1998
1ENN
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BU of 1enn by Molmil
SOLVENT ORGANIZATION IN AN OLIGONUCLEOTIDE CRYSTAL: THE STRUCTURE OF D(GCGAATTCG)2 AT ATOMIC RESOLUTION
分子名称: CHLORIDE ION, DNA (5'-D(*GP*CP*GP*AP*AP*TP*TP*CP*G)-3'), MAGNESIUM ION, ...
著者Soler-Lopez, M, Malinina, L, Subirana, J.A.
登録日2000-03-21
公開日2000-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.89 Å)
主引用文献Solvent organization in an oligonucleotide crystal. The structure of d(GCGAATTCG)2 at atomic resolution.
J.Biol.Chem., 275, 2000
1AZN
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BU of 1azn by Molmil
CRYSTAL STRUCTURE OF THE AZURIN MUTANT PHE114ALA FROM PSEUDOMONAS AERUGINOSA AT 2.6 ANGSTROMS RESOLUTION
分子名称: AZURIN, COPPER (II) ION
著者Tsai, L.-C, Sjolin, L, Langer, V, Pascher, T, Nar, H.
登録日1994-05-27
公開日1994-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the azurin mutant Phe114Ala from Pseudomonas aeruginosa at 2.6 A resolution.
Acta Crystallogr.,Sect.D, 51, 1995
1BY3
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BU of 1by3 by Molmil
FHUA FROM E. COLI
分子名称: N-OCTYL-2-HYDROXYETHYL SULFOXIDE, PROTEIN (FERRICHROME-IRON RECEPTOR PRECURSOR (FHUA))
著者Locher, K.P, Rees, B, Koebnik, R, Mitschler, A, Moulinier, L, Rosenbusch, J.P, Moras, D.
登録日1998-10-22
公開日1999-01-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Transmembrane signaling across the ligand-gated FhuA receptor: crystal structures of free and ferrichrome-bound states reveal allosteric changes.
Cell(Cambridge,Mass.), 95, 1998
1C0A
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BU of 1c0a by Molmil
CRYSTAL STRUCTURE OF THE E. COLI ASPARTYL-TRNA SYNTHETASE : TRNAASP : ASPARTYL-ADENYLATE COMPLEX
分子名称: ADENOSINE MONOPHOSPHATE, ASPARTYL TRNA, ASPARTYL TRNA SYNTHETASE, ...
著者Eiler, S, Dock-Bregeon, A.-C, Moulinier, L, Thierry, J.-C, Moras, D.
登録日1999-07-15
公開日1999-11-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Synthesis of aspartyl-tRNA(Asp) in Escherichia coli--a snapshot of the second step.
EMBO J., 18, 1999
1B8A
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BU of 1b8a by Molmil
ASPARTYL-TRNA SYNTHETASE
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, PROTEIN (ASPARTYL-TRNA SYNTHETASE)
著者Schmitt, E, Moulinier, L, Thierry, J.-C, Moras, D.
登録日1999-01-27
公開日1999-02-02
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of aspartyl-tRNA synthetase from Pyrococcus kodakaraensis KOD: archaeon specificity and catalytic mechanism of adenylate formation.
EMBO J., 17, 1998
1BY5
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BU of 1by5 by Molmil
FHUA FROM E. COLI, WITH ITS LIGAND FERRICHROME
分子名称: FE (III) ION, FERRIC HYDROXAMATE UPTAKE PROTEIN, FERRICHROME, ...
著者Locher, K.P, Rees, B, Koebnik, R, Mitschler, A, Moulinier, L, Rosenbusch, J.P, Moras, D.
登録日1998-10-23
公開日1999-01-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Transmembrane signaling across the ligand-gated FhuA receptor: crystal structures of free and ferrichrome-bound states reveal allosteric changes.
Cell(Cambridge,Mass.), 95, 1998
2TSA
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BU of 2tsa by Molmil
AZURIN MUTANT M121A
分子名称: AZURIN, COPPER (II) ION
著者Tsai, L.-C, Bonander, N, Harata, K, Karlsson, B.G, Vanngard, T, Langer, V, Sjolin, L.
登録日1996-05-10
公開日1996-11-08
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mutant Met121Ala of Pseudomonas aeruginosa azurin and its azide derivative: crystal structures and spectral properties.
Acta Crystallogr.,Sect.D, 52, 1996
2TSB
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BU of 2tsb by Molmil
AZURIN MUTANT M121A-AZIDE
分子名称: AZIDE ION, AZURIN AZIDE, COPPER (II) ION
著者Tsai, L.-C, Bonander, N, Harata, K, Karlsson, B.G, Vanngard, T, Langer, V, Sjolin, L.
登録日1996-05-10
公開日1996-11-08
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mutant Met121Ala of Pseudomonas aeruginosa azurin and its azide derivative: crystal structures and spectral properties.
Acta Crystallogr.,Sect.D, 52, 1996
2VNV
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BU of 2vnv by Molmil
Crystal structure of BclA lectin from burkholderia cenocepacia in complex with alpha-methyl-mannoside at 1.7 Angstrom resolution
分子名称: BCLA, CALCIUM ION, SULFATE ION, ...
著者Lameignere, E, Malinovska, L, Mitchell, E.P, Imberty, A, Wimmerova, M.
登録日2008-02-07
公開日2008-04-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis for Mannose Recognition by a Lectin from Opportunistic Bacteria Burkholderia Cenocepacia
Biochem.J., 411, 2008
6XCF
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BU of 6xcf by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with noncovalent inhibitor 59
分子名称: (3R)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-pentylpentanediamide, Botulinum neurotoxin type A, ZINC ION
著者Tararina, M.A, Allen, K.N.
登録日2020-06-08
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCB
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BU of 6xcb by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 20
分子名称: Botulinum neurotoxin type A, N-hydroxy-6-sulfanylhexanamide, ZINC ION
著者Tararina, M.A, Allen, K.N.
登録日2020-06-08
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCC
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BU of 6xcc by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 21
分子名称: Botulinum neurotoxin type A, N-hydroxy-5-sulfanylpentanamide, ZINC ION
著者Tararina, M.A, Allen, K.N.
登録日2020-06-08
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCD
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BU of 6xcd by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 22
分子名称: Botulinum neurotoxin type A, N-hydroxy-7-sulfanylheptanamide, ZINC ION
著者Tararina, M.A, Allen, K.N.
登録日2020-06-08
公開日2021-06-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCE
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Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 53
分子名称: (3S)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-(3-sulfanylpropyl)pentanediamide, Botulinum neurotoxin type A
著者Tararina, M.A, Allen, K.N.
登録日2020-06-08
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
9EXW
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BU of 9exw by Molmil
Crystal structure of the PWWP1 domain of NSD2 bound by compound 17.
分子名称: 1,2-ETHANEDIOL, 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2
著者Collie, G.W.
登録日2024-04-09
公開日2024-05-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
9EXX
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Crystal structure of the PWWP1 domain of NSD2 bound by compound 18.
分子名称: 1,2-ETHANEDIOL, 4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide, ETHANOL, ...
著者Collie, G.W.
登録日2024-04-09
公開日2024-05-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.943 Å)
主引用文献Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
9EXY
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BU of 9exy by Molmil
Crystal structure of the PWWP1 domain of NSD2 bound by compound 34.
分子名称: 7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2
著者Collie, G.W.
登録日2024-04-09
公開日2024-05-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
3LAQ
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BU of 3laq by Molmil
Structure-based engineering of species selectivity in the uPA-uPAR interaction
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, Urokinase-type plasminogen activator
著者Huang, M.
登録日2010-01-06
公開日2010-02-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure-based engineering of species selectivity in the interaction between urokinase and its receptor: implication for preclinical cancer therapy.
J.Biol.Chem., 285, 2010
2PQS
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BU of 2pqs by Molmil
Crystal Structure of the Bovine Lactadherin C2 Domain
分子名称: Lactadherin
著者Huang, M, Furie, B.C.
登録日2007-05-02
公開日2007-08-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the bovine lactadherin C2 domain, a membrane binding motif, shows similarity to the C2 domains of factor V and factor VIII.
J.Mol.Biol., 371, 2007
6TI5
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A New Structural Model of Abeta(1-40) Fibrils
分子名称: Amyloid-beta precursor protein
著者Bertini, I, Gonnelli, L, Luchinat, C, Mao, J, Nesi, A.
登録日2019-11-21
公開日2020-07-22
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils.
Chem.Commun.(Camb.), 56, 2020
3P8X
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Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1alpha,25-Dihydroxyvitamin D3 with Substituents at C-18
分子名称: (1R,3S,5Z)-5-{(2E)-2-[(3aR,7aS)-7a-(7-hydroxy-7-methyloctyl)octahydro-4H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol, SULFATE ION, Vitamin D3 receptor
著者Rochel, N, Sato, Y, Moras, D.
登録日2010-10-15
公開日2011-08-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1 ,25-Dihydroxyvitamin D3 with Substituents at C-18
Chemmedchem, 6, 2011

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