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5SLG
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BU of 5slg by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32400357
分子名称: 1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
著者Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
登録日2022-03-03
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献PanDDA analysis group deposition
To Be Published
4GQL
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Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470.1
分子名称: CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ...
著者Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V.
登録日2012-08-23
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
1MQQ
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BU of 1mqq by Molmil
THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE FROM BACILLUS STEAROTHERMOPHILUS T-1 COMPLEXED WITH GLUCURONIC ACID
分子名称: ALPHA-D-GLUCURONIDASE, GLYCEROL, alpha-D-glucopyranuronic acid
著者Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G.
登録日2002-09-17
公開日2003-09-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of Geobacillus stearothermophilus alpha-glucuronidase complexed with its substrate and products: mechanistic implications.
J.Biol.Chem., 279, 2004
2UYA
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BU of 2uya by Molmil
DEL162-163 mutant of Bacillus subtilis Oxalate Decarboxylase OxdC
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Just, V.J, Burrell, M.R, Bowater, L, McRobbie, I, Stevenson, C.E.M, Lawson, D.M, Bornemann, S.
登録日2007-04-03
公開日2007-08-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Identity of the Active Site of Oxalate Decarboxylase and the Importance of the Stability of Active-Site Lid Conformations.
Biochem.J., 407, 2007
2R4I
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BU of 2r4i by Molmil
CRYSTAL STRUCTURE OF A NTF2-LIKE PROTEIN (CHU_1428) FROM CYTOPHAGA HUTCHINSONII ATCC 33406 AT 1.60 A RESOLUTION
分子名称: CITRIC ACID, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2007-08-31
公開日2007-10-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of NTF2-like protein of unknown function (YP_678039.1) from Cytophaga hutchinsonii ATCC 33406 at 1.60 A resolution
To be published
4Q9S
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BU of 4q9s by Molmil
Crystal Structure of human Focal Adhesion Kinase (Fak) bound to Compound1 (3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE)
分子名称: 3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Focal adhesion kinase 1
著者Argiriadi, M.A, George, D.M.
登録日2014-05-01
公開日2014-07-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit.
J.Med.Chem., 58, 2015
2VBK
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NATIVE TAILSPIKE PROTEIN OF BACTERIOPHAGE SF6
分子名称: 1,2-ETHANEDIOL, CARBON DIOXIDE, GLYCEROL, ...
著者Mueller, J.J, Barbirz, S, Heinle, K, Freiberg, A, Seckler, R, Heinemann, U.
登録日2007-09-14
公開日2008-04-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献An intersubunit active site between supercoiled parallel beta helices in the trimeric tailspike endorhamnosidase of Shigella flexneri Phage Sf6.
Structure, 16, 2008
3M6Y
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BU of 3m6y by Molmil
Structure of 4-hydroxy-2-oxoglutarate aldolase from bacillus cereus at 1.45 a resolution.
分子名称: 4-Hydroxy-2-oxoglutarate aldolase, CALCIUM ION, CHLORIDE ION
著者Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, F.W, Midwest Center for Structural Genomics (MCSG)
登録日2010-03-16
公開日2010-04-07
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of 4-Hydroxy-2-Oxoglutarate Aldolase from Bacillus Cereus at 1.45 A Resolution.
To be Published
2UYB
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S161A mutant of Bacillus subtilis Oxalate Decarboxylase OxdC
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, MANGANESE (II) ION, ...
著者Just, V.J, Burrell, M.R, Bowater, L, McRobbie, I, Stevenson, C.E.M, Lawson, D.M, Bornemann, S.
登録日2007-04-03
公開日2007-08-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Identity of the Active Site of Oxalate Decarboxylase and the Importance of the Stability of Active-Site Lid Conformations.
Biochem.J., 407, 2007
8Y5L
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BU of 8y5l by Molmil
E.coli transcription translation coupling complex in TTC-B state 1 (subclass1) containing mRNA with 30-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Zhang, J, Lu, G, Wang, C, Lin, J.
登録日2024-01-31
公開日2025-08-13
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献E.coli transcription translation coupling complex in TTC-B state 1 (subclass1) containing mRNA with 30-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin
To be published
1JI2
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BU of 1ji2 by Molmil
Improved X-ray Structure of Thermoactinomyces vulgaris R-47 alpha-Amylase 2
分子名称: ALPHA-AMYLASE II, CALCIUM ION
著者Kamitori, S, Abe, A, Ohtaki, A, Kaji, A, Tonozuka, T, Sakano, Y.
登録日2001-06-28
公開日2002-06-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures and structural comparison of Thermoactinomyces vulgaris R-47 alpha-amylase 1 (TVAI) at 1.6 A resolution and alpha-amylase 2 (TVAII) at 2.3 A resolution.
J.Mol.Biol., 318, 2002
8Y5R
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BU of 8y5r by Molmil
E.coli Transcription translation coupling complex in TTC-B state 5 (subclass 1) containing mRNA with 27-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and fusidic acid
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Zhang, J, Lu, G, Wang, C, Lin, J.
登録日2024-01-31
公開日2025-08-13
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献E.coli Transcription translation coupling complex in TTC-B state 5 (subclass 1) containing mRNA with 27-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and fusidic acid
To be published
8Y5P
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BU of 8y5p by Molmil
E.coli transcription translation coupling complex in TTC-B state 4 (subclass 1) containing mRNA with 24-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Zhang, J, Lu, G, Wang, C, Lin, J.
登録日2024-01-31
公開日2025-08-13
実験手法ELECTRON MICROSCOPY (6.5 Å)
主引用文献E.coli transcription translation coupling complex in TTC-B state 4 (subclass 1) containing mRNA with 24-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin
To be published
1RQJ
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Active Conformation of Farnesyl Pyrophosphate Synthase Bound to Isopentyl Pyrophosphate and Risedronate
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranyltranstransferase, ...
著者Hosfield, D.J, Zhang, Y, Dougan, D.R, Brooun, A, Tari, L.W, Swanson, R.V, Finn, J.
登録日2003-12-05
公開日2004-03-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis
J.Biol.Chem., 279, 2004
8YDI
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BU of 8ydi by Molmil
E.coli transcription translation coupling complex in TTC-P state 1 (subclass 2) containing mRNA with 39-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Zhang, J, Lu, G, Wang, C, Lin, J.
登録日2024-02-20
公開日2025-08-27
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献E.coli transcription translation coupling complex in TTC-P state 1 (subclass 2) containing mRNA with 39-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin
To be published
3SNI
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Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors
分子名称: 2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine, CHLORIDE ION, MAGNESIUM ION, ...
著者Malamas, M.S, Ni, Y, Erdei, J, Stange, H, Schindler, R, Lankau, H.-J, Grunwald, C, Fan, K.Y, Parris, K.D, Langen, B, Egerland, U, Hage, T, Marquis, K.L, Grauer, S, Brennan, J, Navarra, R, Graf, R, Harrison, B.L, Robichaud, A, Kronbach, T, Pangalos, M, Hofgen, N, Brandon, N.J.
登録日2011-06-29
公開日2011-10-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors.
J.Med.Chem., 54, 2011
4NR6
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Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand
分子名称: 1-[7-(3,4-dimethoxyphenyl)-9-{[(3R)-1-methylpiperidin-3-yl]methoxy}-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one, CREB-binding protein
著者Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Chaikuad, A, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-11-26
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand
To be Published
3ZQ9
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Structure of a Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44
分子名称: (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Ariza, A, Eklof, J.M, Spadiut, O, Offen, W.A, Roberts, S.M, Besenmatter, W, Friis, E.P, Skjot, M, Wilson, K.S, Brumer, H, Davies, G.
登録日2011-06-08
公開日2011-06-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure and Activity of Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44.
J.Biol.Chem., 286, 2011
2UZS
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A transforming mutation in the pleckstrin homology domain of AKT1 in cancer (AKT1-PH_E17K)
分子名称: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-alpha serine/threonine-protein kinase
著者Carpten, J.D, Faber, A.L, Horn, C, Donoho, G.P, Briggs, S.L, Robbins, C.M, Hostetter, G, Boguslawski, S, Moses, T.Y, Savage, S, Uhlik, M, Lin, A, Du, J, Qian, Y.W, Zeckner, D.J, Tucker-Kellogg, G, Touchman, J, Patel, K, Mousses, S, Bittner, M, Schevitz, R, Lai, M.H, Blanchard, K.L, Thomas, J.E.
登録日2007-05-01
公開日2007-07-17
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献A transforming mutation in the pleckstrin homology domain of AKT1 in cancer.
Nature, 448, 2007
1JQW
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THE 2.3 ANGSTROM RESOLUTION STRUCTURE OF BACILLUS SUBTILIS LUXS/HOMOCYSTEINE COMPLEX
分子名称: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Autoinducer-2 production protein luxS, ZINC ION
著者Ruzheinikov, S.N, Das, S.K, Sedelnikova, S.E, Hartley, A, Foster, S.J, Horsburgh, M.J, Cox, A.G, McCleod, C.W, Mekhalfia, A, Blackburn, G.M, Rice, D.W, Baker, P.J.
登録日2001-08-09
公開日2001-10-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The 1.2 A structure of a novel quorum-sensing protein, Bacillus subtilis LuxS
J.Mol.Biol., 313, 2001
8YDH
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E.coli transcription translation coupling complex in TTC-P state 1 (subclass1) containing mRNA with 39-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Zhang, J, Lu, G, Wang, C, Lin, J.
登録日2024-02-20
公開日2025-08-27
実験手法ELECTRON MICROSCOPY (4.55 Å)
主引用文献E.coli transcription translation coupling complex in TTC-P state 1 (subclass1) containing mRNA with 39-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin
To be published
4HPJ
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Crystal structure of Tryptophan Synthase at 1.45 A resolution in complex with 2-aminophenol quinonoid in the beta site and the F9 inhibitor in the alpha site
分子名称: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ...
著者Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
登録日2012-10-23
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
8YDF
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E.coli transcription translation coupling complex in TTC-B state 1 (subclass 2) containing mRNA with 39-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Zhang, J, Lu, G, Wang, C, Lin, J.
登録日2024-02-20
公開日2025-08-27
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献E.coli transcription translation coupling complex in TTC-B state 1 (subclass 2) containing mRNA with 39-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin
To be published
8YDE
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E.coli transcription translation coupling complex in TTC-B state 1 (subclass 3) containing mRNA with 39-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Zhang, J, Lu, G, Wang, C, Lin, J.
登録日2024-02-20
公開日2025-08-27
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献E.coli transcription translation coupling complex in TTC-B state 1 (subclass 3) containing mRNA with 39-mer spacer, NusG, NusA, fMet-tRNA(iMet), Phe-tRNA(Phe), and viomycin
To be published
2C54
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gdp-mannose-3', 5' -epimerase (arabidopsis thaliana),k178r, with gdp-beta-l-gulose and gdp-4-keto-beta-l-gulose bound in active site.
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FORMIC ACID, GDP-MANNOSE-3', ...
著者Major, L.L, Wolucka, B.A, Naismith, J.H.
登録日2005-10-25
公開日2005-11-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure and function of GDP-mannose-3',5'-epimerase: an enzyme which performs three chemical reactions at the same active site.
J. Am. Chem. Soc., 127, 2005

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