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3S3L
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BU of 3s3l by Molmil
Crystal Structure of CerJ from Streptomyces tendae
分子名称: ACETATE ION, CHLORIDE ION, CerJ
著者Zocher, G, Hertweck, C, Bretschneider, T, Stehle, T.
登録日2011-05-18
公開日2011-12-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A ketosynthase homolog uses malonyl units to form esters in cervimycin biosynthesis.
Nat.Chem.Biol., 8, 2011
3SJF
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BU of 3sjf by Molmil
X-ray structure of human glutamate carboxypeptidase II in complex with a urea-based inhibitor (A25)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Plechanovova, A, Byun, Y, Alquicer, G, Skultetyova, L, Mlcochova, P, Nemcova, A, Kim, H, Navratil, M, Mease, R, Lubkowski, J, Pomper, M, Konvalinka, J, Rulisek, L, Barinka, C.
登録日2011-06-21
公開日2011-10-05
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity.
J.Med.Chem., 54, 2011
5D45
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BU of 5d45 by Molmil
Crystal Structure of FABP4 in complex with 3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid
分子名称: 3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid, Fatty acid-binding protein, adipocyte
著者Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T.
登録日2015-08-07
公開日2016-06-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis
Acs Med.Chem.Lett., 7, 2016
7R2T
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BU of 7r2t by Molmil
SYNJ2BP complex with a phosphorylated Vangl2 peptide at the P-1 position.
分子名称: CALCIUM ION, GLYCEROL, Synaptojanin-2-binding protein,Annexin, ...
著者Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G.
登録日2022-02-05
公開日2023-05-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献PDZome-wide and structural characterization of the PDZ-binding motif of VANGL2.
Biochim Biophys Acta Proteins Proteom, 1872, 2024
7R2M
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BU of 7r2m by Molmil
SYNJ2BP complex with a synthetic Vangl2 peptide (9mer).
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, GLYCEROL, ...
著者Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G.
登録日2022-02-04
公開日2023-05-17
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献PDZome-wide and structural characterization of the PDZ-binding motif of VANGL2.
Biochim Biophys Acta Proteins Proteom, 1872, 2024
3SM3
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BU of 3sm3 by Molmil
Crystal Structure of SAM-dependent methyltransferases Q8PUK2_METMA from Methanosarcina mazei. Northeast Structural Genomics Consortium Target MaR262.
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, SAM-dependent methyltransferases
著者Vorobiev, S, Neely, H, Seetharaman, J, Snyder, A, Patel, P, Xiao, R, Ciccosanti, C, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2011-06-27
公開日2011-07-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Crystal Structure of SAM-dependent methyltransferases Q8PUK2_METMA from Methanosarcina mazei.
To be Published, 2009
3SMS
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BU of 3sms by Molmil
Human Pantothenate kinase 3 in complex with a pantothenate analog
分子名称: (2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase 3, ...
著者Mottaghi, K, Tempel, W, Hong, B, Smil, D, Bolshan, Y, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
登録日2011-06-28
公開日2011-07-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Human Pantothenate kinase 3 in complex with a pantothenate analog
to be published
3SNL
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BU of 3snl by Molmil
Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors
分子名称: 6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline, MAGNESIUM ION, ZINC 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 (2.4 Å)
主引用文献Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors.
J.Med.Chem., 54, 2011
3SOE
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BU of 3soe by Molmil
Crystal Structure of the 3rd PDZ domain of the human Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (MAGI3)
分子名称: 1,2-ETHANEDIOL, Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3
著者Ivarsson, Y, Filippakopoulos, P, Picaud, S, Vollmar, M, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S, Zimmermann, P, Structural Genomics Consortium (SGC)
登録日2011-06-30
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the 3rd PDZ domain of the human Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (MAGI3)
To be Published
7QYF
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BU of 7qyf by Molmil
Structure of the transaminase PluriZyme variant (TR2E2)
分子名称: Aminotransferase TR2
著者Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V.
登録日2022-01-28
公開日2023-07-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Angew Chem Int Ed Engl, 61, 2022
6PNY
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BU of 6pny by Molmil
X-ray Structure of Flpp3
分子名称: Flpp3
著者Zook, J.D, Shekhar, M, Hansen, D.T, Conrad, C, Grant, T.D, Gupta, C, White, T, Barty, A, Basu, S, Zhao, Y, Zatsepin, N.A, Ishchenko, A, Batyuk, A, Gati, C, Li, C, Galli, L, Coe, J, Hunter, M, Liang, M, Weierstall, U, Nelson, G, James, D, Stauch, B, Craciunescu, F, Thifault, D, Liu, W, Cherezov, V, Singharoy, A, Fromme, P.
登録日2019-07-03
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia.
Structure, 28, 2020
3RZS
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BU of 3rzs by Molmil
Apis mellifera OBP14 in complex with Ta6Br14
分子名称: HEXATANTALUM DODECABROMIDE, OBP14
著者Spinelli, S, Lagarde, A, Iovinella, I, Tegoni, M, Pelosi, P, Cambillau, C.
登録日2011-05-12
公開日2011-11-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of Apis mellifera OBP14, a C-minus odorant-binding protein, and its complexes with odorant molecules.
Insect Biochem.Mol.Biol., 42, 2012
3RZV
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BU of 3rzv by Molmil
The Crystal Structure of a E280A Mutant of the Catalytic Domain of AMSH
分子名称: STAM-binding protein, ZINC ION
著者Davies, C.W, Das, C.
登録日2011-05-12
公開日2011-10-19
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural and Thermodynamic Comparison of the Catalytic Domain of AMSH and AMSH-LP: Nearly Identical Fold but Different Stability.
J.Mol.Biol., 413, 2011
3S0C
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BU of 3s0c by Molmil
Transaldolase wt of Thermoplasma acidophilum
分子名称: GLYCEROL, Probable transaldolase
著者Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K.
登録日2011-05-13
公開日2011-08-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism.
Nat.Chem.Biol., 7, 2011
7QVA
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BU of 7qva by Molmil
Crystal structure of a bacterial pyranose 2-oxidase in complex with mangiferin
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GMC oxidoreductase family protein, Mangiferin, ...
著者Borges, P.T, Frazao, T, Taborda, T, Brissos, V, Frazao, C, Martins, L.O.
登録日2022-01-20
公開日2023-08-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Mechanistic insights into glycoside 3-oxidases involved in C-glycoside metabolism in soil microorganisms.
Nat Commun, 14, 2023
7QX3
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BU of 7qx3 by Molmil
Structure of the transaminase TR2E2 with EOS
分子名称: 2-azanylethyl hydrogen sulfate, Aminotransferase TR2
著者Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V.
登録日2022-01-26
公開日2023-08-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Angew.Chem.Int.Ed.Engl., 61, 2022
7QX0
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BU of 7qx0 by Molmil
Transaminase Structure of Plurienzyme (Tr2E2) in complex with PLP
分子名称: Aminotransferase TR2, PYRIDOXAL-5'-PHOSPHATE
著者Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V.
登録日2022-01-26
公開日2023-08-16
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Angew Chem Int Ed Engl, 61, 2022
5DA8
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BU of 5da8 by Molmil
Crystal structure of chaperonin GroEL from
分子名称: 60 kDa chaperonin, CALCIUM ION, MAGNESIUM ION, ...
著者Chang, C, Marshall, N, Feldmann, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2015-08-19
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of chaperonin GroEL from
To Be Published
7QYG
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BU of 7qyg by Molmil
Structure of the transaminase TR2
分子名称: Aminotransferase TR2
著者Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V.
登録日2022-01-28
公開日2023-08-16
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Angew Chem Int Ed Engl, 61, 2022
3SAO
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BU of 3sao by Molmil
The Siderocalin Ex-FABP functions through dual ligand specificities
分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, 2,3-DIHYDROXY-BENZOIC ACID, Extracellular fatty acid-binding protein, ...
著者Correnti, C, Strong, R.K, Clifton, M.C.
登録日2011-06-03
公開日2011-12-28
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Galline Ex-FABP Is an Antibacterial Siderocalin and a Lysophosphatidic Acid Sensor Functioning through Dual Ligand Specificities.
Structure, 19, 2011
7R21
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BU of 7r21 by Molmil
elongated Cascade complex from type I-A CRISPR-Cas system
分子名称: Cas11a, Cas7a, CrRNA (62-MER), ...
著者Hu, C, Ni, D, Nam, K.H, Stahlberg, H, Terns, M, Ke, A.
登録日2022-02-04
公開日2023-08-16
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural snapshots for an atypic type I CRISPR-Cas system
To Be Published
7R2K
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BU of 7r2k by Molmil
elongated Cascade complex from type I-A CRISPR-Cas system
分子名称: CRISPR-associated endonuclease Cas3-HD, CRISPR-associated helicase Cas3, Cas11a, ...
著者Hu, C, Ni, D, Nam, K.H, Terns, M, Stahlberg, H, Ke, A.
登録日2022-02-04
公開日2023-08-16
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural snapshots for an atypic type I CRISPR-Cas system
To Be Published
3S1W
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BU of 3s1w by Molmil
Transaldolase variant Lys86Ala from Thermoplasma acidophilum in complex with glycerol and citrate
分子名称: CITRATE ANION, GLYCEROL, Probable transaldolase
著者Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K.
登録日2011-05-16
公開日2011-08-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism.
Nat.Chem.Biol., 7, 2011
3S24
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BU of 3s24 by Molmil
Crystal structure of human mRNA guanylyltransferase
分子名称: SULFATE ION, mRNA-capping enzyme
著者Das, K, Chu, C, Thyminski, J.R, Bauman, J.D, Guan, R, Qiu, W, Montelione, G.T, Arnold, E, Shatkin, A.J.
登録日2011-05-16
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.0137 Å)
主引用文献Structure of the guanylyltransferase domain of human mRNA capping enzyme.
Proc.Natl.Acad.Sci.USA, 108, 2011
5DFB
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BU of 5dfb by Molmil
Crystal structure of BRD2(BD2) mutant W370F in the free form
分子名称: Bromodomain-containing protein 2, GLYCEROL, NICKEL (II) ION, ...
著者Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A.
登録日2015-08-26
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
J.Med.Chem., 59, 2016

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