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3DGO
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A non-biological ATP binding protein with a Tyr-Phe mutation in the ligand binding domain
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP Binding Protein-DX, CHLORIDE ION, ...
著者Simmons, C.R, Allen, J.P, Chaput, J.C.
登録日2008-06-13
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A synthetic protein selected for ligand binding affinity mediates ATP hydrolysis.
Acs Chem.Biol., 4, 2009
3EFX
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Novel binding site identified in a hybrid between cholera toxin and heat-labile enterotoxin, 1.9A crystal structure reveals the details
分子名称: Cholera enterotoxin subunit B, Heat-labile enterotoxin B chain, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]beta-D-glucopyranose
著者Holmner, A, Lebens, M, Teneberg, S, Angstrom, J, Okvist, M, Krengel, U.
登録日2008-09-10
公開日2008-09-23
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Novel binding site identified in a hybrid between cholera toxin and heat-labile enterotoxin: 1.9 A crystal structure reveals the details
Structure, 12, 2004
3F8G
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The X-ray structure of a dimeric variant of human pancreatic ribonuclease with high cytotoxic and antitumor activities
分子名称: Ribonuclease pancreatic, SULFATE ION
著者Merlino, A, Avella, G, Mazzarella, L, Sica, F.
登録日2008-11-12
公開日2009-02-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural features for the mechanism of antitumor action of a dimeric human pancreatic ribonuclease variant.
Protein Sci., 18, 2009
3IA3
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BU of 3ia3 by Molmil
A cis-proline in alpha-hemoglobin stabilizing Protein directs the structural reorganization of alpha-hemoglobin
分子名称: Alpha-hemoglobin-stabilizing protein, Hemoglobin subunit alpha, PROTOPORPHYRIN IX CONTAINING FE
著者Feng, L, Jeffrey, P.D, Shi, Y.
登録日2009-07-13
公開日2009-07-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A cis-proline in alpha-hemoglobin stabilizing protein directs the structural reorganization of alpha-hemoglobin.
J.Biol.Chem., 284, 2009
2UXZ
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Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary- Alcohol-Containing Transition-State Mimic
分子名称: HIV-1 PROTEASE, METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4-HYDROXY-5-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-5-OXOPENTYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE
著者Ginman, N, Samuelsson, B, Hallberg, A, Unge, J.T, Unge, T.K.
登録日2007-04-02
公開日2008-05-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary-Alcohol-Containing Transition-State Mimic.
J.Med.Chem., 51, 2008
2UY0
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BU of 2uy0 by Molmil
Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary- Alcohol-Containing Transition-State Mimic
分子名称: HIV-1 PROTEASE, METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4-HYDROXY-5-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-5-OXOPENTANOYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE
著者Ginman, N, Samuelsson, B, Hallberg, A, Unge, J.T, Unge, T.K.
登録日2007-04-02
公開日2008-05-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary-Alcohol-Containing Transition-State Mimic.
J.Med.Chem., 51, 2008
2W1U
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BU of 2w1u by Molmil
A family 32 carbohydrate-binding module, from the Mu toxin produced by Clostridium perfringens, in complex with beta-D-glcNAc-beta(1,3) galNAc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ACETATE ION, ...
著者Ficko-Blean, E, Boraston, A.B.
登録日2008-10-20
公開日2009-05-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献N-Acetylglucosamine Recognition by a Family 32 Carbohydrate-Binding Module from Clostridium Perfringens Nagh.
J.Mol.Biol., 390, 2009
2VY9
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Molecular architecture of the stressosome, a signal integration and transduction hub
分子名称: ANTI-SIGMA-FACTOR ANTAGONIST
著者Marles-Wright, J, Grant, T, Delumeau, O, van Duinen, G, Firbank, S.J, Lewis, P.J, Murray, J.W, Newman, J.A, Quin, M.B, Race, P.R, Rohou, A, Tichelaar, W, van Heel, M, Lewis, R.J.
登録日2008-07-21
公開日2008-10-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular Architecture of the "Stressosome," a Signal Integration and Transduction Hub
Science, 322, 2008
7WX6
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A Legionella acetyltransferase VipF
分子名称: CHLORAMPHENICOL, COENZYME A, N-acetyltransferase
著者Chen, T.T, Lin, Y.L, Chen, Z, Han, A.D.
登録日2022-02-14
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.273 Å)
主引用文献Structural basis for the acetylation mechanism of the Legionella effector VipF.
Acta Crystallogr D Struct Biol, 78, 2022
2WDB
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BU of 2wdb by Molmil
A family 32 carbohydrate-binding module, from the Mu toxin produced by Clostridium perfringens, in complex with beta-D-glcNAc-beta(1,2) mannose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, CALCIUM ION, HYALURONOGLUCOSAMINIDASE
著者Ficko-Blean, E, Boraston, A.B.
登録日2009-03-23
公開日2009-05-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献N-Acetylglucosamine Recognition by a Family 32 Carbohydrate-Binding Module from Clostridium Perfringens Nagh.
J.Mol.Biol., 390, 2009
4AO8
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BU of 4ao8 by Molmil
PEG-bound complex of a novel cold-adapted esterase from an Arctic intertidal metagenomic library
分子名称: DI(HYDROXYETHYL)ETHER, ESTERASE
著者Fu, J, Leiros, H.-K.S, Pascale, D.d, Johnson, K.A, Blencke, H.M, Landfald, B.
登録日2012-03-23
公開日2012-08-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Functional and Structural Studies of a Novel Cold-Adapted Esterase from an Arctic Intertidal Metagenomic Library.
Appl.Microbiol.Biotechnol., 97, 2013
1Q0P
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BU of 1q0p by Molmil
A domain of Factor B
分子名称: Complement factor B, MANGANESE (II) ION
著者Bhattacharya, A.A, Liddington, R.C.
登録日2003-07-17
公開日2004-03-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the A Domain from Complement Factor B Reveals an Integrin-like Open Conformation.
STRUCTURE, 12, 2004
2V5I
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BU of 2v5i by Molmil
Structure of the receptor-binding protein of bacteriophage Det7: a podoviral tailspike in a myovirus
分子名称: SALMONELLA TYPHIMURIUM DB7155 BACTERIOPHAGE DET7 TAILSPIKE, SODIUM ION
著者Walter, M, Fiedler, C, Grassl, R, Biebl, M, Rachel, R, Hermo-Parrado, X.L, Llamas-Saiz, A.L, Seckler, R, Miller, S, van Raaij, M.J.
登録日2007-07-05
公開日2008-02-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the Receptor-Binding Protein of Bacteriophage Det7: A Podoviral Tail Spike in a Myovirus.
J.Virol., 82, 2008
4RUZ
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BU of 4ruz by Molmil
Crystal structure of human Carbonic Anhydrase II in complex with 4-ethoxybenzenesulfonamide
分子名称: 4-ethoxybenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Pinard, M.A, Mckenna, R.
登録日2014-11-23
公開日2015-04-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
6HRP
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BU of 6hrp by Molmil
CRYSTAL STRUCTURE OF BTK KINASE DOMAIN COMPLEXED WITH 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]-3,4-dihydroisoquinolin-1-one
分子名称: 6-~{tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one, Tyrosine-protein kinase BTK
著者Janson, C, Kuglstatter, A.
登録日2018-09-28
公開日2019-03-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献A potent seven-membered cyclic BTK (Bruton's tyrosine Kinase) chiral inhibitor conceived by structure-based drug design to lock its bioactive conformation.
Bioorg.Med.Chem.Lett., 29, 2019
7WX5
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a Legionella acetyltransferase effector VipF
分子名称: ACETYL COENZYME *A, N-acetyltransferase
著者Chen, T.T, Lin, Y.L, Zhang, S.J, Han, A.D.
登録日2022-02-14
公開日2023-02-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.392 Å)
主引用文献Structural basis for the acetylation mechanism of the Legionella effector VipF.
Acta Crystallogr D Struct Biol, 78, 2022
4GX8
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BU of 4gx8 by Molmil
Crystal structure of a DNA polymerase III alpha-epsilon chimera
分子名称: CHLORIDE ION, DNA polymerase III subunit epsilon,DNA polymerase III subunit alpha
著者Robinson, A, Horan, N, Xu, Z.-Q, Dixon, N.E, Oakley, A.J.
登録日2012-09-04
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Proofreading exonuclease on a tether: the complex between the E. coli DNA polymerase III subunits alpha, {varepsilon}, theta and beta reveals a highly flexible arrangement of the proofreading domain
Nucleic Acids Res., 41, 2013
4AO6
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BU of 4ao6 by Molmil
Native structure of a novel cold-adapted esterase from an Arctic intertidal metagenomic library
分子名称: ESTERASE
著者Fu, J, Leiros, H.-K.S, Pascale, D.d, Johnson, K.A, Blencke, H.M, Landfald, B.
登録日2012-03-23
公開日2012-08-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Functional and Structural Studies of a Novel Cold-Adapted Esterase from an Arctic Intertidal Metagenomic Library.
Appl.Microbiol.Biotechnol., 97, 2013
7MEU
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BU of 7meu by Molmil
A biphenyl inhibitor of eIF4E targeting an internal binding site enables the design of cell-permeable PROTAC-degraders
分子名称: (2E)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E
著者Papadopoulos, E.
登録日2021-04-07
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献A biphenyl inhibitor of eIF4E targeting an internal binding site enables the design of cell-permeable PROTAC-degraders.
Eur.J.Med.Chem., 219, 2021
4KC9
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Structure of HHARI, a RING-IBR-RING ubiquitin ligase: autoinhibition of an Ariadne-family E3 and insights into ligation mechanism
分子名称: E3 ubiquitin-protein ligase ARIH1, ZINC ION
著者Duda, D.M, Olszewski, J.L, Schulman, B.A.
登録日2013-04-24
公開日2013-05-29
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (3.603 Å)
主引用文献Structure of HHARI, a RING-IBR-RING Ubiquitin Ligase: Autoinhibition of an Ariadne-Family E3 and Insights into Ligation Mechanism.
Structure, 21, 2013
4BNA
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BU of 4bna by Molmil
REVERSIBLE BENDING AND HELIX GEOMETRY IN A B-DNA DODECAMER: CGCGAATTBRCGCG
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(CBR)P*GP*CP*G)-3')
著者Kopka, M.L, Fratini, A.V, Dickerson, R.E.
登録日1982-02-16
公開日1982-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Reversible bending and helix geometry in a B-DNA dodecamer: CGCGAATTBrCGCG.
J.Biol.Chem., 257, 1982
212D
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BU of 212d by Molmil
INFLUENCE OF COUNTER-IONS ON THE CRYSTAL STRUCTURES OF DNA DECAMERS: BINDING OF [CO(NH3)6]3+ AND BA2+ TO A-DNA
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(*AP*CP*CP*GP*GP*CP*CP*GP*GP*T)-3')
著者Gao, Y.-G, Robinson, H, Van Boom, J.H, Wang, A.H.-J.
登録日1995-06-26
公開日1996-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Influence of counter-ions on the crystal structures of DNA decamers: binding of [Co(NH3)6]3+ and Ba2+ to A-DNA.
Biophys.J., 69, 1995
1PUT
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BU of 1put by Molmil
AN NMR-DERIVED MODEL FOR THE SOLUTION STRUCTURE OF OXIDIZED PUTIDAREDOXIN, A 2FE, 2-S FERREDOXIN FROM PSEUDOMONAS
分子名称: FE2/S2 (INORGANIC) CLUSTER, PUTIDAREDOXIN
著者Pochapsky, T.C, Ye, X.M, Ratnaswamy, G, Lyons, T.A.
登録日1994-07-09
公開日1994-09-30
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献An NMR-derived model for the solution structure of oxidized putidaredoxin, a 2-Fe, 2-S ferredoxin from Pseudomonas.
Biochemistry, 33, 1994
4RUX
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Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide
分子名称: 4-(allyloxy)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Pinard, M.A, Mckenna, R.
登録日2014-11-23
公開日2015-04-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
3GHD
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Crystal structure of a cystathionine beta-synthase domain protein fused to a Zn-ribbon-like domain
分子名称: a cystathionine beta-synthase domain protein fused to a Zn-ribbon-like domain
著者Dong, A, Xu, X, Chruszcz, M, Brown, G, Proudfoot, M, Edwards, A.M, Joachimiak, A, Minor, W, Savchenko, A, Yaleunin, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-03-03
公開日2009-03-31
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal structure of a cystathionine beta-synthase domain protein fused to a Zn-ribbon-like domain
To be Published

224004

件を2024-08-21に公開中

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