3TP2
 
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3U2A
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3U69
 | | Unliganded wild-type human thrombin | | 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 | Figueiredo, A.C, Clement, C.C, Philipp, M, Barbosa Pereira, P.J. | | 登録日 | 2011-10-12 | | 公開日 | 2012-04-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Rational design and characterization of d-phe-pro-d-arg-derived direct thrombin inhibitors.
Plos One, 7, 2012
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3UAS
 | | Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene | | 分子名称: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Gay, S.C, Zhang, H, Shah, M.B, Stout, C.D, Halpert, J.R, Hollenberg, P.F. | | 登録日 | 2011-10-21 | | 公開日 | 2013-01-09 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.939 Å) | | 主引用文献 | Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis.
Biochemistry, 52, 2013
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3UA6
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3V43
 | | Crystal structure of MOZ | | 分子名称: | ACETATE ION, Histone H3.1, Histone acetyltransferase KAT6A, ... | | 著者 | Qiu, Y, Li, F. | | 登録日 | 2011-12-14 | | 公開日 | 2012-06-27 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription
Genes Dev., 26, 2012
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3UQD
 | | Crystal structure of the Phosphofructokinase-2 from Escherichia coli in complex with substrates and products | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructokinase isozyme 2, ... | | 著者 | Pereira, H.M, Caniuguir, A, Baez, M, Cabrera, R, Babul, J. | | 登録日 | 2011-11-20 | | 公開日 | 2012-11-28 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Studying the phosphoryl transfer mechanism of theE. coliphosphofructokinase-2: from X-ray structure to quantum mechanics/molecular mechanics simulations.
Chem Sci, 10, 2019
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3VHA
 | | Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine, Heat shock protein HSP 90-alpha | | 著者 | Fukami, T.A, Ono, N. | | 登録日 | 2011-08-24 | | 公開日 | 2012-07-18 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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3VRU
 | | VDR ligand binding domain in complex with 2-Methylidene-19,24-dinor-1alpha,25-dihydroxy vitaminD3 | | 分子名称: | (1R,3R,7E,17beta)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | 著者 | Yoshimoto, N, Inaba, Y, Itoh, T, Nakabayashi, M, Ito, N, Yamamoto, K. | | 登録日 | 2012-04-14 | | 公開日 | 2012-05-23 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands
J.Med.Chem., 55, 2012
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3VV8
 | | Crystal structure of beta secetase in complex with 2-amino-3-methyl-6-((1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl)pyrimidin-4(3H)-one | | 分子名称: | 2-amino-3-methyl-6-[(1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl]pyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL | | 著者 | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | 登録日 | 2012-07-17 | | 公開日 | 2012-10-24 | | 最終更新日 | 2013-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode.
J.Med.Chem., 55, 2012
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3VVB
 | | Crystal Structure of Capsular Polysaccharide Synthesizing Enzyme CapE from Staphylococcus aureus in apo form | | 分子名称: | CapE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Miyafusa, T, Caaveiro, J.M, Tanaka, Y, Tsumoto, K. | | 登録日 | 2012-07-18 | | 公開日 | 2013-06-12 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of the capsular polysaccharide synthesizing protein CapE of Staphylococcus aureus.
Biosci.Rep., 33, 2013
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3VWI
 | | High resolution crystal structure of FraC in the monomeric form | | 分子名称: | AMMONIUM ION, CHLORIDE ION, Fragaceatoxin C, ... | | 著者 | Tanaka, K, Morante, K, Caaveiro, J.M.M, Gonzalez-Manas, J.M, Tsumoto, K. | | 登録日 | 2012-08-23 | | 公開日 | 2013-08-28 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid
Nat Commun, 6, 2015
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3UFD
 | | C.Esp1396I bound to its highest affinity operator site OM | | 分子名称: | CHLORIDE ION, DNA (5'-D(*AP*TP*GP*TP*AP*GP*AP*CP*TP*AP*TP*AP*GP*TP*CP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*TP*CP*GP*AP*CP*TP*AP*TP*AP*GP*TP*CP*TP*AP*CP*A)-3'), ... | | 著者 | Ball, N.J, McGeehan, J.E, Streeter, S.D, Thresh, S.-J, Kneale, G.G. | | 登録日 | 2011-11-01 | | 公開日 | 2012-07-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | The structural basis of differential DNA sequence recognition by restriction-modification controller proteins.
Nucleic Acids Res., 40, 2012
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3UVC
 | | MMP12 in a complex with the dimeric adduct: 5-(5-phenylhydantoin)-5-phenylhydantoin | | 分子名称: | (4R,4'S)-4,4'-diphenyl-4,4'-biimidazolidine-2,2',5,5'-tetrone, 1,2-ETHANEDIOL, CALCIUM ION, ... | | 著者 | Derbyshire, D.J, Danielson, H, Nystrum, S. | | 登録日 | 2011-11-29 | | 公開日 | 2013-01-02 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Characterization of fragments interacting with MMP-12
To be Published
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3UMO
 | | Crystal structure of the Phosphofructokinase-2 from Escherichia coli in complex with Potassium | | 分子名称: | 6-phosphofructokinase isozyme 2, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Pereira, H.M, Caniuguir, A, Baez, M, Cabrera, R, Garratt, R.C, Babul, J. | | 登録日 | 2011-11-14 | | 公開日 | 2012-11-14 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.696 Å) | | 主引用文献 | A Ribokinase Family Conserved Monovalent Cation Binding Site Enhances the MgATP-induced Inhibition in E. coli Phosphofructokinase-2
Biophys.J., 105, 2013
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3V58
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3TRI
 | | Structure of a pyrroline-5-carboxylate reductase (proC) from Coxiella burnetii | | 分子名称: | CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION, ... | | 著者 | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-09-28 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3U1N
 | | Structure of the catalytic core of human SAMHD1 | | 分子名称: | PHOSPHATE ION, SAM domain and HD domain-containing protein 1, ZINC ION | | 著者 | Goldstone, D.C, Ennis-Adeniran, V, Walker, P.A, Haire, L.F, Webb, M, Taylor, I.A. | | 登録日 | 2011-09-30 | | 公開日 | 2011-11-16 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | HIV-1 restriction factor SAMHD1 is a deoxynucleoside triphosphate triphosphohydrolase
Nature, 480, 2011
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3U7V
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3U2K
 | | S. aureus GyrB ATPase domain in complex with a small molecule inhibitor | | 分子名称: | 2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide, DNA gyrase subunit B, MAGNESIUM ION | | 著者 | Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A. | | 登録日 | 2011-10-03 | | 公開日 | 2012-01-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.
Antimicrob.Agents Chemother., 56, 2012
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2ZSO
 | | Carbonmonoxy Sperm Whale Myoglobin at 100 K: Laser on [450 min] | | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. | | 登録日 | 2008-09-17 | | 公開日 | 2009-02-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
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2ZSX
 | | Carbonmonoxy Sperm Whale Myoglobin at 140 K: Laser on [600 min] | | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. | | 登録日 | 2008-09-18 | | 公開日 | 2009-02-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2ZGG
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2ZKM
 | | Crystal Structure of Phospholipase C Beta 2 | | 分子名称: | 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta-2, CALCIUM ION | | 著者 | Hicks, S.N, Jezyk, M.R, Gershberg, S, Seifert, J.P, Harden, T.K, Sondek, J. | | 登録日 | 2008-03-26 | | 公開日 | 2008-08-12 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | General and versatile autoinhibition of PLC isozymes
Mol.Cell, 31, 2008
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3VN5
 | | Crystal structure of Aquifex aeolicus RNase H3 | | 分子名称: | Ribonuclease HIII | | 著者 | Jongruja, N, You, D.J, Eiko, K, Angkawidjaja, C, Koga, Y, Takano, K, Kanaya, S. | | 登録日 | 2011-12-22 | | 公開日 | 2012-12-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structure and characterization of RNase H3 from Aquifex aeolicus
Febs J., 279, 2012
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