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5C9J
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Human CD1c with ligands in A' and F' channel
分子名称: Beta-2-microglobulin, GLYCEROL, LAURIC ACID, ...
著者Tews, I, Machelett, M.M, Mansour, S, Gadola, S.D.
登録日2015-06-27
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Cholesteryl esters stabilize human CD1c conformations for recognition by self-reactive T cells.
Proc.Natl.Acad.Sci.USA, 113, 2016
5FBL
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BU of 5fbl by Molmil
PI4KB in complex with Rab11 and the MI356 Inhibitor
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ...
著者Chalupska, D, Mejdrova, I, Nencka, R, Boura, E.
登録日2015-12-14
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.372 Å)
主引用文献PI4KB in complex with Rab11 and the MI356 Inhibitor
To Be Published
8UWU
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BU of 8uwu by Molmil
EmrE structure in the proton-bound state (WT/L51I heterodimer)
分子名称: SMR family multidrug efflux protein EmrE
著者Li, J, Sae Her, A, Besch, A, Ramirez, B, Crames, M, Banigan, J.R, Mueller, C, Marsiglia, W.M, Zhang, Y, Traaseth, N.J.
登録日2023-11-08
公開日2024-05-29
最終更新日2024-07-03
実験手法SOLID-STATE NMR, SOLUTION NMR
主引用文献Dynamics underlie the drug recognition mechanism by the efflux transporter EmrE.
Nat Commun, 15, 2024
3ZVI
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BU of 3zvi by Molmil
Methylaspartate ammonia lyase from Clostridium tetanomorphum mutant L384A
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Raj, H, Szymanski, W, de Villiers, J, Rozeboom, H.J, Veetil, V.P, Reis, C.R, de Villiers, M, de Wildeman, S, Dekker, F.J, Quax, W.J, Thunnissen, A.M.W.H, Feringa, B.L, Janssen, D.B, Poelarends, G.J.
登録日2011-07-25
公開日2012-05-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Engineering Methylaspartate Ammonia Lyase for the Asymmetric Synthesis of Unnatural Amino Acids.
Nat.Chem., 4, 2012
5CAN
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BU of 5can by Molmil
EGFR kinase domain mutant "TMLR" with compound 27
分子名称: (3R)-3-methyl-1-(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)pyrrolidine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2015-06-29
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5FBV
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BU of 5fbv by Molmil
PI4KB in complex with Rab11 and the MI364 Inhibitor
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ...
著者Chalupska, D, Mejdrova, I, Nencka, R, Boura, E.
登録日2015-12-14
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.285 Å)
主引用文献PI4KB in complex with Rab11 and the MI364 Inhibitor
To Be Published
3ZTC
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BU of 3ztc by Molmil
pVHL54-213-EloB-EloC complex _ (2S,4R)-N-((1,1'-biphenyl)-4-ylmethyl)- 4-hydroxy-1-(2-(3-methylisoxazol-5-yl)acetyl)pyrrolidine-2- carboxamide
分子名称: (4R)-N-(BIPHENYL-4-YLMETHYL)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, ...
著者Van Molle, I, Buckley, D.L, Crews, C.M, Ciulli, A.
登録日2011-07-06
公開日2012-07-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
1XHO
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BU of 1xho by Molmil
Chorismate mutase from Clostridium thermocellum Cth-682
分子名称: Chorismate mutase, UNKNOWN ATOM OR ION
著者Xu, H, Chen, L, Lee, D, Habel, J.E, Nguyen, J, Chang, S.-H, Kataeva, I, Chang, J, Zhao, M, Yang, H, Horanyi, P, Florence, Q, Tempel, W, Zhou, W, Lin, D, Zhang, H, Praissman, J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-09-20
公開日2004-11-23
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Away from the edge II: in-house Se-SAS phasing with chromium radiation.
Acta Crystallogr.,Sect.D, 61, 2005
5CAV
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BU of 5cav by Molmil
EGFR kinase domain with compound 41a
分子名称: (1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor
著者Eigenbrot, C, Yu, C.
登録日2015-06-30
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
3ZU1
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BU of 3zu1 by Molmil
Structure of LysB29(Nepsilon omega-carboxyheptadecanoyl) des(B30) Human Insulin
分子名称: CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ...
著者Schluckebier, G, Whittingham, J.
登録日2011-07-13
公開日2011-08-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Lysb29(Nepsilon Omega-Carboxyheptadecanoyl) Des(B30) Human Insulin
To be Published
2AP2
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BU of 2ap2 by Molmil
SINGLE CHAIN FV OF C219 IN COMPLEX WITH SYNTHETIC EPITOPE PEPTIDE
分子名称: P-GLYCOPROTEIN, SINGLE CHAIN FV
著者Van Den Elsen, J.M.H, Rose, D.R.
登録日1999-03-22
公開日1999-11-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Antibody C219 recognizes an alpha-helical epitope on P-glycoprotein.
Proc.Natl.Acad.Sci.USA, 96, 1999
5FFO
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BU of 5ffo by Molmil
Integrin alpha V beta 6 in complex with pro-TGF-beta
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Dong, X, Zhao, B, Springer, T.A.
登録日2015-12-18
公開日2017-01-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献Force interacts with macromolecular structure in activation of TGF-beta.
Nature, 542, 2017
8VF8
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BU of 8vf8 by Molmil
Binary DNA Polymerase Beta bound to DNA containing primer terminal dC base-paired with FapydG
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*CP*(FAP)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Oden, P.N, Ryan, B.J, Freudenthal, B.D.
登録日2023-12-21
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
8VFH
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BU of 8vfh by Molmil
Ternary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dC
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*CP*GP*AP*CP*GP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(FAP))-3'), ...
著者Oden, P.N, Ryan, B.J, Freudenthal, B.D.
登録日2023-12-21
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
5TCQ
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BU of 5tcq by Molmil
Near-atomic resolution cryo-EM structure of the Salmonella SPI-1 type III secretion injectisome secretin InvG
分子名称: Protein InvG
著者Worrall, L.J, Hong, C, Vuckovic, M, Bergeron, J.R.C, Huang, R.K, Yu, Z, Strynadka, N.C.J.
登録日2016-09-15
公開日2016-12-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Near-atomic-resolution cryo-EM analysis of the Salmonella T3S injectisome basal body.
Nature, 540, 2016
3ZJU
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BU of 3zju by Molmil
Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3016 in the editing conformation
分子名称: LEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, TRNALEU5 UAA ISOACCEPTOR
著者Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J.
登録日2013-01-18
公開日2013-04-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
3ZKP
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BU of 3zkp by Molmil
Structure of a mutant of P450 EryK in complex with erythromycin B.
分子名称: ERYTHROMYCIN C-12 HYDROXYLASE, Erythromycin B, PROTOPORPHYRIN IX CONTAINING FE
著者Montemiglio, L.C, Vallone, B, Savino, C.
登録日2013-01-24
公開日2013-05-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Redirecting P450 Eryk Specificity by Rational Site-Directed Mutagenesis.
Biochemistry, 52, 2013
2AVO
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BU of 2avo by Molmil
Kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, AND G73S
分子名称: ACETIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T.
登録日2005-08-30
公開日2006-01-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S.
J.Mol.Biol., 354, 2005
3ZKD
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BU of 3zkd by Molmil
CRYSTAL STRUCTURE OF THE ATPASE REGION OF Mycobacterium tuberculosis GyrB WITH AMPPNP
分子名称: DNA GYRASE SUBUNIT B, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Agrawal, A, Roue, M, Spitzfaden, C, Petrella, S, Aubry, A, Volker, C, Mossakowska, D, Hann, M, Bax, B, Mayer, C.
登録日2013-01-22
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Mycobacterium Tuberculosis DNA Gyrase ATPase Domain Structures Suggest a Dissociative Mechanism that Explains How ATP Hydrolysis is Coupled to Domain Motion.
Biochem.J., 456, 2013
1Y69
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BU of 1y69 by Molmil
RRF domain I in complex with the 50S ribosomal subunit from Deinococcus radiodurans
分子名称: 23S ribosomal RNA, 50S ribosomal protein L16, 50S ribosomal protein L27, ...
著者Wilson, D.N, Schluenzen, F, Harms, J.M, Yoshida, T, Ohkubo, T, Albrecht, R, Buerger, J, Kobayashi, Y, Fucini, P.
登録日2004-12-04
公開日2005-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献X-ray crystallography on ribosome recycling: mechanism of binding and action of RRF on the 50S ribosomal subunit
EMBO J., 24, 2005
8VFA
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BU of 8vfa by Molmil
Ternary DNA Polymerase Beta bound to DNA containing primer terminal dC base-paired with FapydG
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*CP*(FAP)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Oden, P.N, Ryan, B.J, Freudenthal, B.D.
登録日2023-12-21
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
5FLC
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BU of 5flc by Molmil
Architecture of human mTOR Complex 1 - 5.9 Angstrom reconstruction
分子名称: FKBP, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, REGULATORY-ASSOCIATED PROTEIN OF MTOR, ...
著者Aylett, C.H.S, Sauer, E, Imseng, S, Boehringer, D, Hall, M.N, Ban, N, Maier, T.
登録日2015-10-23
公開日2015-12-30
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Architecture of Human Mtor Complex 1
Science, 351, 2016
5CP4
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BU of 5cp4 by Molmil
CRYOGENIC STRUCTURE OF P450CAM
分子名称: CAMPHOR, CYTOCHROME P450CAM, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日1998-05-28
公開日1998-09-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Understanding the role of the essential Asp251 in cytochrome p450cam using site-directed mutagenesis, crystallography, and kinetic solvent isotope effect.
Biochemistry, 37, 1998
3ZQ4
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BU of 3zq4 by Molmil
Unusual, dual endo- and exo-nuclease activity in the degradosome explained by crystal structure analysis of RNase J1
分子名称: CALCIUM ION, RIBONUCLEASE J 1, ZINC ION
著者Newman, J.A, Hewitt, L, Rodrigues, C, Solovyova, A, Harwood, C.R, Lewis, R.J.
登録日2011-06-07
公開日2011-09-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Unusual, Dual Endo- and Exonuclease Activity in the Degradosome Explained by Crystal Structure Analysis of Rnase J1.
Structure, 19, 2011
5FMW
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BU of 5fmw by Molmil
The poly-C9 component of the Complement Membrane Attack Complex
分子名称: POLYC9
著者Dudkina, N.V, Spicer, B.A, Reboul, C.F, Conroy, P.J, Lukoyanova, N, Elmlund, H, Law, R.H.P, Ekkel, S.M, Kondos, S.C, Goode, R.J.A, Ramm, G, Whisstock, J.C, Saibil, H.R, Dunstone, M.A.
登録日2015-11-10
公開日2016-02-17
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (6.7 Å)
主引用文献Structure of the Poly-C9 Component of the Complement Membrane Attack Complex
Nat.Commun., 7, 2016

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