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4OBH
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Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant (L449F)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
著者Kolli, M.
登録日2014-01-07
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
5NN4
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BU of 5nn4 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with N-acetyl-cysteine
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M.
登録日2017-04-08
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease.
Nat Commun, 8, 2017
4OJ4
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BU of 4oj4 by Molmil
Crystal structure of V290M PPARgamma mutant in complex with diclofenac
分子名称: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, CALCIUM ION, Peroxisome proliferator-activated receptor gamma
著者Puhl, A.C, Webb, P, Polikarpov, I.
登録日2014-01-20
公開日2015-02-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a PPAR ligand-resistance syndrome mutant
To be Published
6ML2
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BU of 6ml2 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 1)
分子名称: DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*CP*AP*GP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ZINC ION, ...
著者Horton, J.R, Cheng, X, Ren, R.
登録日2018-09-26
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.874 Å)
主引用文献Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
5B5F
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BU of 5b5f by Molmil
Crystal structure of ALiS3-Streptavidin complex
分子名称: N-methyl-3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzenesulfonamide, Streptavidin
著者Sugiyama, S, Terai, T, Kakinouchi, K, Fujikake, R, Nagano, T, Urano, Y.
登録日2016-05-04
公開日2017-03-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Improving the Solubility of Artificial Ligands of Streptavidin to Enable More Practical Reversible Switching of Protein Localization in Cells
Chembiochem, 18, 2017
5N1R
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BU of 5n1r by Molmil
Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4'-Pyrazol-1-ylmethyl-biphenyl-4-sulfonamide
分子名称: 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Ferraroni, M, Supuran, C.T, Scozzafava, A, Carta, F.
登録日2017-02-06
公開日2017-12-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Sulfonamide carbonic anhydrase inhibitors: Zinc coordination and tail effects influence inhibitory efficacy and selectivity for different isoforms
Inorg.Chim.Acta., 470, 2018
5NN5
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BU of 5nn5 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with 1-deoxynojirimycin
分子名称: 1,2-ETHANEDIOL, 1-DEOXYNOJIRIMYCIN, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M.
登録日2017-04-08
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease.
Nat Commun, 8, 2017
5AR8
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BU of 5ar8 by Molmil
RIP2 Kinase Catalytic Domain (1 - 310) complex with Biphenylsulfonamide
分子名称: 2,6-bis(fluoranyl)-N-[3-[5-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2
著者Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L.
登録日2015-09-24
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity.
Bioorg.Med.Chem., 23, 2015
4AMI
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BU of 4ami by Molmil
Turkey beta1 adrenergic receptor with stabilising mutations and bound biased agonist bucindolol
分子名称: 2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile, BETA-1 ADRENERGIC RECEPTOR, HEGA-10
著者Warne, T, Edwards, P.C, Leslie, A.G, Tate, C.G.
登録日2012-03-11
公開日2012-05-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal Structures of a Stabilized Beta1-Adrenoceptor Bound to the Biased Agonists Bucindolol and Carvedilol
Structure, 20, 2012
4AA9
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BU of 4aa9 by Molmil
Camel chymosin at 1.6A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHYMOSIN, GLYCEROL, ...
著者Langholm Jensen, J, Molgaard, A, Navarro Poulsen, J.C, van den Brink, J.M, Harboe, M, Simonsen, J.B, Qvist, K.B, Larsen, S.
登録日2011-11-30
公開日2012-12-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Camel and Bovine Chymosin: The Relationship between Their Structures and Cheese-Making Properties.
Acta Crystallogr.,Sect.D, 69, 2013
6NO5
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BU of 6no5 by Molmil
ADP bound to K46bE&K114bD mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
分子名称: ADENOSINE-5'-DIPHOSPHATE, AMMONIUM ION, MAGNESIUM ION, ...
著者Huang, J, Fraser, M.E.
登録日2019-01-15
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.069 Å)
主引用文献ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
6NO2
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BU of 6no2 by Molmil
ADP bound to K114bD mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
著者Huang, J, Fraser, M.E.
登録日2019-01-15
公開日2019-07-17
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.159 Å)
主引用文献ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
3ZRJ
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BU of 3zrj by Molmil
Complex of ClpV N-domain with VipB peptide
分子名称: 1,2-ETHANEDIOL, CLPB PROTEIN, VIPB
著者Lenherr, E.D, Kopp, J, Sinning, I.
登録日2011-06-16
公開日2011-07-06
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Molecular Basis for the Unique Role of the Aaa+ Chaperone Clpv in Type Vi Protein Secretion.
J.Biol.Chem., 286, 2011
6NO0
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BU of 6no0 by Molmil
ADP bound to ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
著者Huang, J, Fraser, M.E.
登録日2019-01-15
公開日2019-07-17
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.209 Å)
主引用文献ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
5AK8
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BU of 5ak8 by Molmil
Structure of C351A mutant of Porphyromonas gingivalis peptidylarginine deiminase
分子名称: 1,2-ETHANEDIOL, ALANINE, ARGININE, ...
著者Kopec, J, Montgomery, A, Shrestha, L, Kiyani, W, Nowak, R, Burgess-Brown, N, Venables, P.J, Yue, W.W.
登録日2015-03-02
公開日2015-07-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal Structure of Porphyromonas Gingivalis Peptidylarginine Deiminase: Implications for Autoimmunity in Rheumatoid Arthritis.
Ann.Rheum.Dis., 75, 2016
5CW6
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BU of 5cw6 by Molmil
Structure of metal dependent enzyme DrBRCC36
分子名称: DrBRCC36, ZINC ION
著者Zeqiraj, E.
登録日2015-07-27
公開日2015-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.193 Å)
主引用文献Higher-Order Assembly of BRCC36-KIAA0157 Is Required for DUB Activity and Biological Function.
Mol.Cell, 59, 2015
4A33
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BU of 4a33 by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND
分子名称: 2,6-DICHLORO-4-(6-PIPERAZIN-1-YLPYRIDIN-3-YL)-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
著者Robinson, D.A, Brand, S, Cleghorn, L.A.T, McElroy, S.P, Smith, V.C, Hallyburton, I, Harrison, J.R, Norcross, N.R, Norval, S, Spinks, D, Stojanovski, L, Torrie, L.S, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Read, K.D, Wyatt, P.G, Gilbert, I.H.
登録日2011-09-29
公開日2011-12-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
J. Med. Chem., 55, 2012
4A30
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BU of 4a30 by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND
分子名称: 4-BROMO-2,6-DICHLORO-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, CHLORIDE ION, GLYCEROL, ...
著者Robinson, D.A, Brand, S, Fairlamb, A.H, Ferguson, M.A.J, Frearson, J.A, Wyatt, P.G.
登録日2011-09-29
公開日2011-12-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
J. Med. Chem., 55, 2012
5CLN
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BU of 5cln by Molmil
Crystal structure of a 4-oxalocrotonate tautomerase mutant at 2.7 Angstrom
分子名称: 2-hydroxymuconate tautomerase
著者Thunnissen, A.M.W.H, Poddar, H.
登録日2015-07-16
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Using mutability landscapes of a promiscuous tautomerase to guide the engineering of enantioselective Michaelases.
Nat Commun, 7, 2016
4RP7
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BU of 4rp7 by Molmil
Structure of the amyloid-forming segment TIITLE from p53 (residues 253-258)
分子名称: TIITLE hexapeptide segment from p53, ZINC ION
著者Soriaga, A.B, Soragni, A, Eisenberg, D.
登録日2014-10-29
公開日2016-01-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.576 Å)
主引用文献A Designed Inhibitor of p53 Aggregation Rescues p53 Tumor Suppression in Ovarian Carcinomas.
Cancer Cell, 29, 2016
5CBN
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BU of 5cbn by Molmil
Fusion protein of mbp3-16 and B4 domain of protein A from staphylococcal aureus with chemical cross-linker EY-CBS
分子名称: 2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid}, Maltose-binding periplasmic protein, mbp3-16,Immunoglobulin G-binding protein A
著者Jeong, W.H, Lee, H, Song, D.H, Lee, J.O.
登録日2015-07-01
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Connecting two proteins using a fusion alpha helix stabilized by a chemical cross linker.
Nat Commun, 7, 2016
5CLO
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BU of 5clo by Molmil
Crystal structure of a 4-oxalocrotonate tautomerase mutant in complex with nitrostyrene at 2.3 Angstrom
分子名称: 2-hydroxymuconate tautomerase, trans beta nitrostyrene
著者Thunnissen, A.M.W.H, Poddar, H.
登録日2015-07-16
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Using mutability landscapes of a promiscuous tautomerase to guide the engineering of enantioselective Michaelases.
Nat Commun, 7, 2016
4RP6
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BU of 4rp6 by Molmil
Structure of the amyloid-forming segment LTIITLE from p53 (residues 252-258)
分子名称: LTIITLE heptapeptide segment from p53
著者Soriaga, A.B, Soragni, A, Eisenberg, D.
登録日2014-10-29
公開日2016-01-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.703 Å)
主引用文献A Designed Inhibitor of p53 Aggregation Rescues p53 Tumor Suppression in Ovarian Carcinomas.
Cancer Cell, 29, 2016
5CTL
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BU of 5ctl by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: Bromodomain-containing protein 4, N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-07-24
公開日2016-01-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
4PDM
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BU of 4pdm by Molmil
Crystal Structure of K+ selective NaK mutant in rubidium
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein, RUBIDIUM ION
著者Lam, Y.
登録日2014-04-19
公開日2014-07-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献High Resolution Structural Views of Rubidium, Cesium and Barium Binding within a Potassium Selective Channel Filter
To Be Published

222415

件を2024-07-10に公開中

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