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2EHO
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BU of 2eho by Molmil
Crystal structure of human GINS complex
分子名称: DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, GINS complex subunit 3, ...
著者Choi, J.M, Lim, H.S, Kim, J.J, Song, O.K, Cho, Y.
登録日2007-03-07
公開日2007-06-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of the human GINS complex
Genes Dev., 21, 2007
4BQS
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BU of 4bqs by Molmil
Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with ADP and a shikimic acid derivative.
分子名称: (1R,6R,10S)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4(Z),7-diene-8-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, SHIKIMATE KINASE
著者Otero, J.M, Garcia-Doval, C, Llamas-Saiz, A.L, Blanco, B, Prado, V, Lence, E, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2013-06-02
公開日2013-08-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Mycobacterium tuberculosis shikimate kinase inhibitors: design and simulation studies of the catalytic turnover.
J. Am. Chem. Soc., 135, 2013
4C05
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Crystal structure of M. musculus protein arginine methyltransferase PRMT6 with SAH
分子名称: PROTEIN ARGININE N-METHYLTRANSFERASE 6, S-ADENOSYL-L-HOMOCYSTEINE
著者Bonnefond, L, Cura, V, Troffer-Charlier, N, Mailliot, J, Wurtz, J.M, Cavarelli, J.
登録日2013-07-31
公開日2014-07-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.195 Å)
主引用文献Functional Insights from High Resolution Structures of Mouse Protein Arginine Methyltransferase 6.
J.Struct.Biol., 191, 2015
4C9W
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BU of 4c9w by Molmil
Crystal structure of NUDT1 (MTH1) with R-crizotinib
分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, CHLORIDE ION, ...
著者Elkins, J.M, Salah, E, Huber, K, Superti-Furga, G, Abdul Azeez, K.R, Raynor, J, Krojer, T, von Delft, F, Bountra, C, Edwards, A, Knapp, S.
登録日2013-10-03
公開日2014-04-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy.
Nature, 508, 2014
4BUL
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Novel hydroxyl tricyclics (e.g. GSK966587) as potent inhibitors of bacterial type IIA topoisomerases
分子名称: (S)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4H-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5H)-one, 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP *CP*GP*CP*AP*C)-3', 5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*TP*AP*CP*CP*TP *AP*CP*GP*GP*CP*T)-3', ...
著者Miles, T.J, Hennessy, A.J, Bax, B, Brooks, G, Brown, B.S, Brown, P, Cailleau, N, Chen, D, Dabbs, S, Davies, D.T, Esken, J.M, Giordano, I, Hoover, J.L, Huang, J, Jones, G.E, Sukmar, S.K.K, Spitzfaden, C, Markwell, R.E, Minthorn, E.A, Rittenhouse, S, Gwynn, M.N, Pearson, N.D.
登録日2013-06-20
公開日2013-08-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Novel Hydroxyl Tricyclics (E.G., Gsk966587) as Potent Inhibitors of Bacterial Type Iia Topoisomerases.
Bioorg.Med.Chem.Lett., 23, 2013
4BZZ
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BU of 4bzz by Molmil
Complete crystal structure of carboxylesterase Cest-2923 from Lactobacillus plantarum WCFS1
分子名称: ACETATE ION, ACETONITRILE, LIPASE/ESTERASE, ...
著者Benavente, R, Esteban-Torres, M, Acebron, I, de las Rivas, B, Munoz, R, Alvarez, Y, Mancheno, J.M.
登録日2013-07-30
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure, Biochemical Characterization and Analysis of the Pleomorphism of Carboxylesterase Cest-2923 from Lactobacillus Plantarum Wcfs1
FEBS J., 280, 2013
4C08
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Crystal structure of M. musculus protein arginine methyltransferase PRMT6 with CaCl2 at 1.34 Angstroms
分子名称: CALCIUM ION, PENTAETHYLENE GLYCOL, PROTEIN ARGININE N-METHYLTRANSFERASE 6
著者Bonnefond, L, Cura, V, Troffer-Charlier, N, Mailliot, J, Wurtz, J.M, Cavarelli, J.
登録日2013-07-31
公開日2014-07-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.338 Å)
主引用文献Functional Insights from High Resolution Structures of Mouse Protein Arginine Methyltransferase 6.
J.Struct.Biol., 191, 2015
4C01
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Complete crystal structure of carboxylesterase Cest-2923 (lp_2923) from Lactobacillus plantarum WCFS1
分子名称: ACETATE ION, ACETONITRILE, CEST-2923, ...
著者Benavente, R, Esteban-Torres, M, Acebron, I, de las Rivas, B, Munoz, R, Alvarez, Y, Mancheno, J.M.
登録日2013-07-30
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure, Biochemical Characterization and Analysis of the Pleomorphism of Carboxylesterase Cest-2923 from Lactobacillus Plantarum Wcfs1
FEBS J., 280, 2013
2E6M
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BU of 2e6m by Molmil
structure of mouse werner exonuclease domain
分子名称: SULFATE ION, Werner syndrome ATP-dependent helicase homolog
著者Cho, Y, Choi, J.M.
登録日2006-12-27
公開日2007-01-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献probing the roles of active site residues in 3'-5' exonuclease of werner syndrome protein
TO BE PUBLISHED
7SG3
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BU of 7sg3 by Molmil
The X-ray crystal structure of the Staphylococcus aureus Fatty Acid Kinase B1 mutant A121I-A158L to 2.35 Angstrom resolution (Open form chain A, Palmitate bound)
分子名称: Fatty Acid Kinase B1, PALMITIC ACID
著者Cuypers, M.G, Gullett, J.M, Rock, C.O, White, S.W.
登録日2021-10-04
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Identification of structural transitions in bacterial fatty acid binding proteins that permit ligand entry and exit at membranes.
J.Biol.Chem., 298, 2022
7S4Z
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BU of 7s4z by Molmil
Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Proteinase K
分子名称: CALCIUM ION, NITRATE ION, Proteinase K
著者Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X.
登録日2021-09-09
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
2EPL
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BU of 2epl by Molmil
N-acetyl-B-D-glucosaminidase (GCNA) from Streptococcus gordonii
分子名称: GLYCEROL, N-acetyl-beta-D-glucosaminidase, SULFATE ION
著者Langley, D.B, Harty, D.W.S, Guss, J.M, Collyer, C.A.
登録日2007-03-30
公開日2008-03-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of N-acetyl-beta-D-glucosaminidase (GcnA) from the Endocarditis Pathogen Streptococcus gordonii and its Complex with the Mechanism-based Inhibitor NAG-thiazoline
J.Mol.Biol., 377, 2008
2EPM
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BU of 2epm by Molmil
N-acetyl-B-D-glucoasminidase (GCNA) from Stretococcus gordonii
分子名称: GLYCEROL, MERCURY (II) ION, N-acetyl-beta-D-glucosaminidase, ...
著者Langley, D.B, Harty, D.W.S, Guss, J.M, Collyer, C.A.
登録日2007-03-30
公開日2008-03-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure of N-acetyl-beta-D-glucosaminidase (GcnA) from the Endocarditis Pathogen Streptococcus gordonii and its Complex with the Mechanism-based Inhibitor NAG-thiazoline
J.Mol.Biol., 377, 2008
7SJJ
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BU of 7sjj by Molmil
Crystal structure of photoactive yellow protein (PYP); F96oCNF construct
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
著者Weaver, J.B, Kirsh, J.M, Boxer, S.G.
登録日2021-10-17
公開日2022-05-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Nitrile Infrared Intensities Characterize Electric Fields and Hydrogen Bonding in Protic, Aprotic, and Protein Environments.
J.Am.Chem.Soc., 144, 2022
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
4ANB
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BU of 4anb by Molmil
Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs.
分子名称: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S.
登録日2012-03-16
公開日2012-12-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973)
Acs Med.Chem.Lett., 3, 2012
4AN2
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BU of 4an2 by Molmil
Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs.
分子名称: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S.
登録日2012-03-14
公開日2012-12-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973)
Acs Med.Chem.Lett., 3, 2012
4A8Q
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Non-Catalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial dsRNA virus phi6 from De Novo Initiation to Elongation
分子名称: 5'-D(*DTP*TP*CP*GP*CP*GP)-3', ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Wright, S, Poranen, M.M, Bamford, D.H, Stuart, D.I, Grimes, J.M.
登録日2011-11-21
公開日2012-07-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Noncatalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial Double-Stranded RNA Virus Phi6 from De Novo Initiation to Elongation.
J.Virol., 86, 2012
2CG7
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SECOND AND THIRD FIBRONECTIN TYPE I MODULE PAIR (CRYSTAL FORM II).
分子名称: FIBRONECTIN
著者Rudino-Pinera, E, Ravelli, R.B.G, Sheldrick, G.M, Nanao, M.H, Werner, J.M, Schwarz-Linek, U, Potts, J.R, Garman, E.F.
登録日2006-02-27
公開日2007-02-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The Solution and Crystal Structures of a Module Pair from the Staphylococcus Aureus-Binding Site of Human Fibronectin-A Tale with a Twist.
J.Mol.Biol., 368, 2007
7S6H
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Human PARP1 deltaV687-E688 bound to NAD+ analog EB-47 and to a DNA double strand break.
分子名称: 1,2-ETHANEDIOL, 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, DNA (5'-D(*CP*GP*AP*CP*G)-3'), ...
著者Rouleau-Turcotte, E, Pascal, J.M.
登録日2021-09-14
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Mol.Cell, 82, 2022
7S81
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Structure of human PARP1 domains (Zn1, Zn3, WGR, HD) bound to a DNA double strand break.
分子名称: DNA (5'-D(*AP*TP*GP*CP*GP*GP*CP*CP*GP*CP*AP*T)-3'), Poly [ADP-ribose] polymerase 1, ZINC ION
著者Rouleau-Turcotte, E, Pascal, J.M.
登録日2021-09-17
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Mol.Cell, 82, 2022
4C06
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Crystal structure of M. musculus protein arginine methyltransferase PRMT6 with MgCl2
分子名称: MAGNESIUM ION, PROTEIN ARGININE N-METHYLTRANSFERASE 6
著者Bonnefond, L, Cura, V, Troffer-Charlier, N, Mailliot, J, Wurtz, J.M, Cavarelli, J.
登録日2013-07-31
公開日2014-07-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Functional Insights from High Resolution Structures of Mouse Protein Arginine Methyltransferase 6.
J.Struct.Biol., 191, 2015
7S6M
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Human PARP1 deltaV687-E688 bound to a DNA double strand break.
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*CP*G)-3'), ...
著者Rouleau-Turcotte, E, Pascal, J.M.
登録日2021-09-14
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Mol.Cell, 82, 2022
7S68
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Structure of human PARP1 domains (Zn1, Zn3, WGR and HD) bound to a DNA double strand break.
分子名称: DNA (5'-D(*GP*CP*CP*TP*GP*CP*AP*GP*GP*C)-3'), Fusion of PARP1 zinc fingers 1 and 3 (Zn1, Zn3), ...
著者Rouleau-Turcotte, E, Pascal, J.M.
登録日2021-09-13
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Mol.Cell, 82, 2022
2F2K
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Aldose reductase tertiary complex with NADPH and DEG
分子名称: Aldose reductase, GAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Singh, R, White, M.A, Ramana, K.V, Petrash, J.M, Watowich, S.J, Bhatnagar, A, Srivastava, S.K.
登録日2005-11-17
公開日2006-05-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structure of a glutathione conjugate bound to the active site of aldose reductase.
Proteins, 64, 2006

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