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1GJE
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BU of 1gje by Molmil
Peptide Antagonist of IGFBP-1, Minimized Average Structure
分子名称: IGFBP-1 antagonist
著者Lowman, H.B, Chen, Y.M, Skelton, N.J, Mortensen, D.L, Tomlinson, E.E, Sadick, M.D, Robinson, I.C, Clark, R.G.
登録日2001-05-11
公開日2001-05-30
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献Structure-function analysis of a phage display-derived peptide that binds to insulin-like growth factor binding protein 1.
Biochemistry, 40, 2001
4CMW
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BU of 4cmw by Molmil
Crystal structure of Rv3378c
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Layre, E, Lee, H.J, Young, D.C, Martinot, A.J, Buter, J, Minnaard, A.J, Annand, J.W, Fortune, S.M, Snider, B.B, Matsunaga, I, Rubin, E.J, Alber, T, Moody, D.B.
登録日2014-01-18
公開日2014-02-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.209 Å)
主引用文献Molecular Profiling of Mycobacterium Tuberculosis Identifies Tuberculosinyl Nucleoside Products of the Virulence-Associated Enzyme Rv3378C.
Proc.Natl.Acad.Sci.USA, 111, 2014
4H1U
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BU of 4h1u by Molmil
Nucleotide-free human dynamin-1-like protein GTPase-GED fusion
分子名称: CITRATE ANION, Dynamin-1-like protein
著者Wenger, J, Klinglmayr, E, Puehringer, S, Goettig, P.
登録日2012-09-11
公開日2013-08-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Functional Mapping of Human Dynamin-1-Like GTPase Domain Based on X-ray Structure Analyses.
Plos One, 8, 2013
4OQL
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BU of 4oql by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with dF-EdU
分子名称: 2'-deoxy-5-ethynyl-2',2'-difluorouridine, SULFATE ION, Thymidine kinase
著者Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L.
登録日2014-02-10
公開日2014-08-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with dF-EdU
To be Published
1G6X
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BU of 1g6x by Molmil
ULTRA HIGH RESOLUTION STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) MUTANT WITH ALTERED BINDING LOOP SEQUENCE
分子名称: 1,2-ETHANEDIOL, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION
著者Addlagatta, A, Czapinska, H, Krzywda, S, Otlewski, J, Jaskolski, M.
登録日2000-11-08
公開日2001-05-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (0.86 Å)
主引用文献Ultrahigh-resolution structure of a BPTI mutant.
Acta Crystallogr.,Sect.D, 57, 2001
4CXR
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BU of 4cxr by Molmil
Mycobaterium tuberculosis transaminase BioA complexed with 1-(1,3- benzothiazol-2-yl)methanamine
分子名称: 1,2-ETHANEDIOL, 1-(1,3-benzothiazol-2-yl)methanamine, ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE, ...
著者Dai, R, Geders, T.W, Finzel, B.C.
登録日2014-04-08
公開日2014-04-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Inhibition of Mycobacterium Tuberculosis Transaminase Bioa by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
4GYU
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BU of 4gyu by Molmil
Crystal Structure of New Delhi Metallo-beta-Lactamase-1 A121F mutant from Klebsiella pneumoniae
分子名称: Beta-lactamase NDM-1, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
登録日2012-09-05
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Crystal Structure of New Delhi Metallo-beta-Lactamase-1 A121F mutant from Klebsiella pneumoniae
To be Published, 2012
4GZF
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BU of 4gzf by Molmil
Multi-drug resistant HIV-1 protease 769 variant with reduced LrF peptide
分子名称: LrF peptide, Protease
著者Dewdney, T.G, Wang, Y, Kovari, I.A, Brunzelle, J.S, Reiter, S.J, Kovari, L.C.
登録日2012-09-06
公開日2013-10-30
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease.
Bioorg.Med.Chem., 21, 2013
7E9B
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BU of 7e9b by Molmil
Structural basis of HLX10 PD-1 receptor recognition, a promising anti-PD-1 antibody clinical candidate for cancer immunotherapy
分子名称: Programmed cell death protein 1, heavy chain of Fab fragment of HLX10, light chain of Fab fragment of HLX10
著者Fan, S.L, Jiang, W.D.
登録日2021-03-04
公開日2021-07-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural basis of HLX10 PD-1 receptor recognition, a promising anti-PD-1 antibody clinical candidate for cancer immunotherapy.
Plos One, 16, 2021
2WU6
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BU of 2wu6 by Molmil
Crystal Structure of the Human CLK3 in complex with DKI
分子名称: 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CHLORIDE ION, ...
著者Muniz, J.R.C, Fedorov, O, King, O, Filippakopoulos, P, Bullock, A.N, Philips, C, Heightman, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S.
登録日2009-09-30
公開日2009-10-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing.
Chem.Biol, 18, 2011
1F0K
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BU of 1f0k by Molmil
THE 1.9 ANGSTROM CRYSTAL STRUCTURE OF E. COLI MURG
分子名称: SULFATE ION, UDP-N-ACETYLGLUCOSAMINE-N-ACETYLMURAMYL-(PENTAPEPTIDE) PYROPHOSPHORYL-UNDECAPRENOL N-ACETYLGLUCOSAMINE TRANSFERASE
著者Ha, S, Walker, D, Shi, Y, Walker, S.
登録日2000-05-16
公開日2000-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The 1.9 A crystal structure of Escherichia coli MurG, a membrane-associated glycosyltransferase involved in peptidoglycan biosynthesis.
Protein Sci., 9, 2000
4H1V
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BU of 4h1v by Molmil
GMP-PNP bound dynamin-1-like protein GTPase-GED fusion
分子名称: Dynamin-1-like protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Wenger, J, Klinglmayr, E, Eibl, C, Hessenberger, M, Goettig, P.
登録日2012-09-11
公開日2013-08-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Functional Mapping of Human Dynamin-1-Like GTPase Domain Based on X-ray Structure Analyses.
Plos One, 8, 2013
7DUR
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BU of 7dur by Molmil
Cryo-EM structure of the compound 2-bound human GLP-1 receptor-Gs complex
分子名称: CHOLESTEROL, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
登録日2021-01-11
公開日2021-08-11
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
2ZNR
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BU of 2znr by Molmil
Crystal structure of the DUB domain of human AMSH-LP
分子名称: 1,2-ETHANEDIOL, AMSH-like protease, PRASEODYMIUM ION, ...
著者Sato, Y, Azusa, Y, Yamagata, A, Mimura, H, Wang, X, Yamashita, M, Ookata, K, Nureki, O, Iwai, K, Komada, M, Fukai, S.
登録日2008-05-01
公開日2008-09-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural basis for specific cleavage of Lys 63-linked polyubiquitin chains
Nature, 455, 2008
2PYM
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BU of 2pym by Molmil
HIV-1 PR mutant in complex with nelfinavir
分子名称: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN
著者Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J.
登録日2007-05-16
公開日2008-02-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants
J.Mol.Biol., 374, 2007
4CUB
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BU of 4cub by Molmil
Unravelling the multiple functions of the architecturally intricate Streptococcus pneumoniae beta-galactosidase, BgaA
分子名称: 1,2-ETHANEDIOL, BETA-GALACTOSIDASE, CALCIUM ION, ...
著者Singh, A.K, Pluvinage, B, Higgins, M.A, Dalia, A.B, Flynn, M, Lloyd, A.R, Weiser, J.N, Stubbs, K.A, Boraston, A.B, King, S.J.
登録日2014-03-17
公開日2014-08-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa.
Plos Pathog., 10, 2014
3EZW
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BU of 3ezw by Molmil
Crystal Structure of a Hyperactive Escherichia coli Glycerol Kinase Mutant Gly230 --> Asp Obtained Using Microfluidic Crystallization Devices
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Anderson, M.J, DeLaBarre, B, Dunten, P, Brunger, A.T, Quake, S.R.
登録日2008-10-23
公開日2008-11-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a hyperactive Escherichia coli glycerol kinase mutant Gly230 --> Asp obtained using microfluidic crystallization devices.
Biochemistry, 46, 2007
4D8D
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BU of 4d8d by Molmil
Crystal structure of HIV-1 NEF Fyn-SH3 R96W variant
分子名称: GLYCEROL, Protein Nef, Tyrosine-protein kinase Fyn
著者Arold, S.T, Hoh, F, Dumas, C.
登録日2012-01-10
公開日2013-01-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5201 Å)
主引用文献Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
3N4A
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BU of 3n4a by Molmil
Crystal structure of D-Xylose Isomerase in complex with S-1,2-Propandiol
分子名称: CHLORIDE ION, MANGANESE (II) ION, S-1,2-PROPANEDIOL, ...
著者Behnen, J, Heine, A, Klebe, G.
登録日2010-05-21
公開日2011-05-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
1WE4
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BU of 1we4 by Molmil
Crystal Structure of Class A beta-Lactamase Toho-1 G238C mutant
分子名称: Beta-lactamase Toho-1, SULFATE ION
著者Shimizu-Ibuka, A, Matsuzawa, H, Sakai, H.
登録日2004-05-24
公開日2005-03-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An Engineered Disulfide Bond between Residues 69 and 238 in Extended-Spectrum beta-Lactamase Toho-1 Reduces Its Activity toward Third-Generation Cephalosporins
Biochemistry, 43, 2004
2WYX
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BU of 2wyx by Molmil
Neutron structure of a class A Beta-lactamase Toho-1 E166A R274N R276N triple mutant
分子名称: BETA-LACTAMSE TOHO-1
著者Tomanicek, S.J, Blakeley, M.P, Cooper, J, Chen, Y, Afonine, P, Coates, L.
登録日2009-11-20
公開日2010-01-12
最終更新日2024-05-08
実験手法NEUTRON DIFFRACTION (2.1 Å)
主引用文献Neutron Diffraction Studies of a Class a Beta-Lactamase Toho-1 E166A R274N R276N Triple Mutant
J.Mol.Biol., 396, 2010
2Q64
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BU of 2q64 by Molmil
HIV-1 PR mutant in complex with nelfinavir
分子名称: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN
著者Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J.
登録日2007-06-04
公開日2008-02-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants
J.Mol.Biol., 374, 2007
3BGB
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BU of 3bgb by Molmil
HIV-1 protease in complex with a isobutyl decorated oligoamine
分子名称: CHLORIDE ION, N,N'-(iminodiethane-2,1-diyl)bis[4-amino-N-(2-methylpropyl)benzenesulfonamide], Protease
著者Boettcher, J, Blum, A, Sammet, B, Heine, A, Diederich, W.E, Klebe, G.
登録日2007-11-26
公開日2008-09-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Achiral oligoamines as versatile tool for the development of aspartic protease inhibitors
Bioorg.Med.Chem., 16, 2008
4EHX
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BU of 4ehx by Molmil
Crystal structure of LpxK from Aquifex aeolicus at 1.9 angstrom resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
著者Emptage, R.P, Daughtry, K.D, Pemble IV, C.W, Raetz, C.R.H.
登録日2012-04-04
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of LpxK, the 4'-kinase of lipid A biosynthesis and atypical P-loop kinase functioning at the membrane interface.
Proc.Natl.Acad.Sci.USA, 109, 2012
7LMM
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BU of 7lmm by Molmil
Crystal structure of bovine DNMT1 BAH1 domain in complex with H4K20me2
分子名称: DNA (cytosine-5)-methyltransferase 1,DNA (cytosine-5)-methyltransferase 1, Histone H4, ZINC ION
著者Ren, W, Song, J.
登録日2021-02-05
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.798 Å)
主引用文献DNMT1 reads heterochromatic H4K20me3 to reinforce LINE-1 DNA methylation.
Nat Commun, 12, 2021

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