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6ZAM
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BU of 6zam by Molmil
Fluorine labeled IPNS S55C in complex with Fe and ACV under anaerobic conditions.
分子名称: 1,1,1-tris(fluoranyl)propan-2-one, 1,1,1-tris(fluoranyl)propane-2,2-diol, FE (III) ION, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
4NZ0
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BU of 4nz0 by Molmil
The EMCV 3Dpol structure at 2.8A resolution
分子名称: CHLORIDE ION, GLYCEROL, Genome polyprotein
著者Vives-adrian, L, Ferrer-orta, C, Verdaguer, N.
登録日2013-12-11
公開日2014-03-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of a cardiovirus RNA-dependent RNA polymerase reveals an unusual conformation of the polymerase active site
J.Virol., 88, 2014
1G37
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BU of 1g37 by Molmil
CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN COMPLEXED WITH BCH-10556 AND EXOSITE-DIRECTED PEPTIDE
分子名称: 3-(4-AMINO-CYCLOHEXYL)-2-HYDROXY-3-[(4-OXO-2-PHENYLMETHANESULFONYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBONYL)-AMINO]-PROPIONIC ACID BUTYL ESTER, ALPHA THROMBIN, THROMBIN NONAPEPTIDE INHIBITOR
著者Bachand, B, Tarazi, M, St-Denis, Y, Edmunds, J.J, Winocour, P.D, Leblond, L, Siddiqui, M.A.
登録日2000-10-23
公開日2001-04-21
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent and selective bicyclic lactam inhibitors of thrombin. Part 4: transition state inhibitors.
Bioorg.Med.Chem.Lett., 11, 2001
6GS0
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BU of 6gs0 by Molmil
Native Glucuronoyl Esterase from Opitutus terrae
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Putative acetyl xylan esterase, ...
著者Lo Leggio, L, Larsbrink, J, Meland Knudsen, R, Mazurkewich, S, Navarro Poulsen, J.C.
登録日2018-06-13
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Biochemical and structural features of diverse bacterial glucuronoyl esterases facilitating recalcitrant biomass conversion.
Biotechnol Biofuels, 11, 2018
6D1M
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BU of 6d1m by Molmil
Design, synthesis, and X-ray of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects
分子名称: 4-(cyclohexylselanyl)benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Peat, T.S, Angeli, A, di Cesare Mannelli, L, Micheli, L, Ghelardini, C, Supuran, C.T.
登録日2018-04-12
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Design, synthesis and X-ray crystallography of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects.
Eur J Med Chem, 154, 2018
6GF7
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BU of 6gf7 by Molmil
Molecular basis of egg coat filament cross-linking: Zn-SAD structure of the partially deglycosylated ZP1 ZP-N1 domain homodimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ZINC ION, Zona pellucida sperm-binding protein 1,Zona pellucida sperm-binding protein 1
著者Nishimura, K, Jovine, L.
登録日2018-04-29
公開日2019-06-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of egg coat cross-linking sheds light on ZP1-associated female infertility.
Nat Commun, 10, 2019
2O8S
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BU of 2o8s by Molmil
X-ray Crystal Structure of Protein AGR_C_984 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium Target AtR120.
分子名称: AGR_C_984p, SULFATE ION
著者Seetharaman, J, Forouhar, F, Su, M, Zhao, L, Cunningham, K, Ma, L.-C, Janjua, H, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-12-12
公開日2007-01-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the Hypothetical Protein AGR_C_984 from Agrobacterium tumefaciens, Northeast Structural Genomics Target AtR120.
To be Published
6GF8
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BU of 6gf8 by Molmil
Molecular basis of egg coat filament cross-linking: structure of the glycosylated ZP1 ZP-N1 domain homodimer
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 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Nishimura, K, Jovine, L.
登録日2018-04-29
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular basis of egg coat cross-linking sheds light on ZP1-associated female infertility.
Nat Commun, 10, 2019
2O94
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BU of 2o94 by Molmil
The 97H/F mutant Structure of a glutamine-rich domain from histone deacetylase 4
分子名称: Histone deacetylase 4
著者Guo, L, Han, A, Bates, D.L, Chen, L.
登録日2006-12-13
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of a conserved N-terminal domain of histone deacetylase 4 reveals functional insights into glutamine-rich domains.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2NWB
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BU of 2nwb by Molmil
Crystal Structure of a Putative 2,3-dioxygenase (SO4414) from Shewanella oneidensis in complex with ferric heme. Northeast Structural Genomics Target SoR52.
分子名称: Conserved domain protein, PROTOPORPHYRIN IX CONTAINING FE
著者Forouhar, F, Anderson, J.L.R, Mowat, C.G, Hussain, A, Seetharaman, J, Bruckmann, C, Thackray, S.J, Khan, N, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Ma, L.C, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-11-14
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
4HFH
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BU of 4hfh by Molmil
The GLIC pentameric Ligand-Gated Ion Channel (wild-type) complexed to bromoform
分子名称: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Sauguet, L, Howard, R.J, Malherbe, L, Lee, U.S, Corringer, P.J, Harris, R.A, Delarue, M.
登録日2012-10-05
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel.
Nat Commun, 4, 2013
1FVQ
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BU of 1fvq by Molmil
SOLUTION STRUCTURE OF THE YEAST COPPER TRANSPORTER DOMAIN CCC2A IN THE APO AND CU(I) LOADED STATES
分子名称: COPPER-TRANSPORTING ATPASE
著者Banci, L, Bertini, I, Ciofi Baffoni, S, Huffman, D.L, O'Halloran, T.V.
登録日2000-09-20
公開日2001-03-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the yeast copper transporter domain Ccc2a in the apo and Cu(I)-loaded states.
J.Biol.Chem., 276, 2001
1FZO
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BU of 1fzo by Molmil
MHC CLASS I NATURAL MUTANT H-2KBM8 HEAVY CHAIN COMPLEXED WITH BETA-2 MICROGLOBULIN AND SENDAI VIRUS NUCLEOPROTEIN
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rudolph, M.G, Speir, J.A, Brunmark, A, Mattsson, N, Jackson, M.R, Peterson, P.A, Teyton, L, Wilson, I.A.
登録日2000-10-03
公開日2001-03-28
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structures of K(bm1) and K(bm8) reveal that subtle changes in the peptide environment impact thermostability and alloreactivity.
Immunity, 14, 2001
1G00
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BU of 1g00 by Molmil
ALTERNATION OF DNA AND SOLVENT LAYERS IN THE A FORM OF D(GGCGCC) OBTAINED BY ETHANOL CRYSTALLIZATION
分子名称: 5'-D(*GP*GP*CP*GP*CP*C)-3'
著者Urpi, L, Navaza, J, Subirana, J.A.
登録日2000-10-05
公開日2001-02-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Alternation of DNA and solvent layers in the A form of d(GGCGCC) obtained by ethanol crystallization.
J.Biomol.Struct.Dyn., 18, 2000
1FZJ
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BU of 1fzj by Molmil
MHC CLASS I NATURAL MUTANT H-2KBM1 HEAVY CHAIN COMPLEXED WITH BETA-2 MICROGLOBULIN AND VESICULAR STOMATITIS VIRUS NUCLEOPROTEIN
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rudolph, M.G, Speir, J.A, Brunmark, A, Mattsson, N, Jackson, M.R, Peterson, P.A, Teyton, L, Wilson, I.A.
登録日2000-10-03
公開日2001-03-28
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structures of K(bm1) and K(bm8) reveal that subtle changes in the peptide environment impact thermostability and alloreactivity.
Immunity, 14, 2001
4H4G
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BU of 4h4g by Molmil
Crystal Structure of (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase from Burkholderia thailandensis E264
分子名称: (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase
著者Craig, T.K, Edwards, T.E, Staker, B, Stewart, L, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-09-17
公開日2012-10-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
1G98
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BU of 1g98 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF RABBIT PHOSPHOGLUCOSE ISOMERASE COMPLEXED WITH 5-PHOSPHOARABINONATE, A TRANSITION STATE ANALOGUE
分子名称: 5-PHOSPHOARABINONIC ACID, PHOSPHOGLUCOSE ISOMERASE
著者Jeffery, C.J, Hardre, R, Salmon, L.
登録日2000-11-22
公開日2001-06-01
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 rabbit phosphoglucose isomerase complexed with 5-phospho-D-arabinonate identifies the role of Glu357 in catalysis.
Biochemistry, 40, 2001
2OFH
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BU of 2ofh by Molmil
Solution structure of the n-terminal domain of the zinc(II) ATPase ziaa in its apo form
分子名称: Zinc-transporting ATPase
著者Banci, L, Bertini, I, Ciofi-Baffoni, S, Poggi, L, Robinson, N.J, Vanarotti, M.
登録日2007-01-03
公開日2007-12-18
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献NMR structural analysis of the soluble domain of ZiaA-ATPase and the basis of selective interactions with copper metallochaperone Atx1.
J.Biol.Inorg.Chem., 15, 2010
3PCU
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BU of 3pcu by Molmil
Crystal structure of human retinoic X receptor alpha ligand-binding domain complexed with LX0278 and SRC1 peptide
分子名称: 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Zhang, H, Zhang, Y, Shen, H, Chen, J, Li, C, Chen, L, Hu, L, Jiang, H, Shen, X.
登録日2010-10-22
公開日2011-11-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献(+)-Rutamarin as a Dual Inducer of Both GLUT4 Translocation and Expression Efficiently Ameliorates Glucose Homeostasis in Insulin-Resistant Mice.
Plos One, 7, 2012
3RTP
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BU of 3rtp by Molmil
Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration
分子名称: Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide
著者Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I.
登録日2011-05-03
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
1GBR
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BU of 1gbr by Molmil
ORIENTATION OF PEPTIDE FRAGMENTS FROM SOS PROTEINS BOUND TO THE N-TERMINAL SH3 DOMAIN OF GRB2 DETERMINED BY NMR SPECTROSCOPY
分子名称: GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2, SOS-A PEPTIDE
著者Wittekind, M, Mapelli, C, Farmer, B.T, Suen, K.-L, Goldfarb, V, Tsao, J, Lavoie, T, Barbacid, M, Meyers, C.A, Mueller, L.
登録日1994-08-12
公開日1995-01-26
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Orientation of peptide fragments from Sos proteins bound to the N-terminal SH3 domain of Grb2 determined by NMR spectroscopy.
Biochemistry, 33, 1994
2UUM
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BU of 2uum by Molmil
Crystal structure of C-phycocyanin from Phormidium, Lyngbya spp. (Marine) and Spirulina sp. (Fresh water) shows two different ways of energy transfer between two hexamers.
分子名称: BILIVERDINE IX ALPHA, C-PHYCOCYANIN ALPHA CHAIN, C-PHYCOCYANIN BETA CHAIN, ...
著者Satyanarayana, L, Patel, A, Mishra, S, K Ghosh, P, Suresh, C.G.
登録日2007-03-04
公開日2008-05-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of C-Phycocyanin from Phormidium, Lyngbya Spp. (Marine) and Spirulina Sp. (Fresh Water) Shows Two Different Ways of Energy Transfer between Two Hexamers.
To be Published
2NYS
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BU of 2nys by Molmil
X-ray Crystal Structure of Protein AGR_C_3712 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium Target AtR88.
分子名称: AGR_C_3712p
著者Vorobiev, S.M, Abashidze, M, Seetharaman, J, Zhao, L, Ma, L.C, Cunningham, K, Nwosu, C, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2006-11-21
公開日2006-12-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the hypothetical protein AGR_C_3712 from Agrobacterium tumefaciens.
To be Published
3RU6
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1.8 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase (pyrF) from Campylobacter jejuni subsp. jejuni NCTC 11168
分子名称: CHLORIDE ION, IODIDE ION, Orotidine 5'-phosphate decarboxylase
著者Halavaty, A.S, Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-05-04
公開日2011-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.8 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase (pyrF) from Campylobacter jejuni subsp. jejuni NCTC 11168
To be Published
2O18
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Crystal structure of a Thiamine biosynthesis lipoprotein apbE, NorthEast Strcutural Genomics target ER559
分子名称: CALCIUM ION, Thiamine biosynthesis lipoprotein apbE
著者Seetharaman, J, Su, M, Wang, D, Fang, Y, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-11-28
公開日2006-12-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a Thiamine biosynthesis lipoprotein apbE
To be Published

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