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2IXV
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BU of 2ixv by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (E94Q mutant)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALANINE, D-GLUTAMINE, ...
著者Perez-Dorado, I, Hermoso, J.A.
登録日2006-07-11
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
7KRD
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BU of 7krd by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-(3-chloro-5-cyanophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ702)
分子名称: 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
著者Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-11-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
7KRE
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BU of 7kre by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-((6-cyanonaphthalen-1-yl)oxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ704)
分子名称: 4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
著者Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-11-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.728 Å)
主引用文献Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
7KRF
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BU of 7krf by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-(2-cyanovinyl)-5-fluorophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ710)
分子名称: 4-{3-[(E)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
著者Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-11-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
7KRC
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BU of 7krc by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-chloro-5-(2-cyanovinyl)phenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ709)
分子名称: 4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
著者Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-11-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
7L7F
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BU of 7l7f by Molmil
Cryo-EM structure of human ACE2 receptor bound to protein encoded by vaccine candidate BNT162b1
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein, Envelope glycoprotein fusion
著者Lees, J.A, Han, S.
登録日2020-12-28
公開日2021-02-24
最終更新日2021-04-21
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献BNT162b vaccines protect rhesus macaques from SARS-CoV-2.
Nature, 592, 2021
7L7K
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BU of 7l7k by Molmil
Cryo-EM structure of protein encoded by vaccine candidate BNT162b2
分子名称: Spike glycoprotein
著者Lees, J.A, Han, S.
登録日2020-12-28
公開日2021-02-24
最終更新日2021-04-21
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献BNT162b vaccines protect rhesus macaques from SARS-CoV-2.
Nature, 592, 2021
5D6P
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BU of 5d6p by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, DNA gyrase subunit B, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-12
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
7Z5C
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BU of 7z5c by Molmil
Chimera of AP2 with FCHO2 linker domain as a fusion on Cmu2 subunit
分子名称: AP-2 complex subunit alpha-2, AP-2 complex subunit beta, AP-2 complex subunit mu, ...
著者Kane Dickson, V, Qu, K, Owen, D.J, Briggs, J.A, Zaccai, N.R.
登録日2022-03-09
公開日2022-05-11
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.16 Å)
主引用文献FCHO controls AP2's initiating role in endocytosis through a PtdIns(4,5)P 2 -dependent switch.
Sci Adv, 8, 2022
7LZM
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BU of 7lzm by Molmil
COMPARISON OF THE CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 LYSOZYME AT LOW, MEDIUM, AND HIGH IONIC STRENGTHS
分子名称: CHLORIDE ION, T4 LYSOZYME
著者Bell, J.A, Wilson, K, Zhang, X.-J, Faber, H.R, Nicholson, H, Matthews, B.W.
登録日1991-01-25
公開日1992-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Comparison of the crystal structure of bacteriophage T4 lysozyme at low, medium, and high ionic strengths.
Proteins, 10, 1991
7SMI
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BU of 7smi by Molmil
Crystal Structure of L-galactose dehydrogenase from Spinacia oleracea
分子名称: L-galactose dehydrogenase
著者Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C.
登録日2021-10-26
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Characterization of L-Galactose Dehydrogenase: An Essential Enzyme for Vitamin C Biosynthesis.
Plant Cell.Physiol., 63, 2022
7SML
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BU of 7sml by Molmil
Crystal Structure of L-GALACTONO-1,4-LACTONE DEHYDROGENASE de Myrciaria dubia
分子名称: L-GALACTONO-1,4-LACTONE DEHYDROGENASE
著者Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C.
登録日2021-10-26
公開日2022-11-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit Camu-Camu.
J.Exp.Bot., 2024
4EUL
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BU of 4eul by Molmil
Crystal structure of enhanced Green Fluorescent Protein to 1.35A resolution reveals alternative conformations for Glu222
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Green fluorescent protein, ...
著者Jones, D.D, Arpino, J.A.J, Rizkallah, P.J.
登録日2012-04-25
公開日2012-10-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structure of enhanced green fluorescent protein to 1.35 a resolution reveals alternative conformations for glu222.
Plos One, 7, 2012
8SF8
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BU of 8sf8 by Molmil
Structure of bovine PKA bound to (R)-N-(4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl)-2-amino-4-methylpentanamide
分子名称: N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Coker, J.A, Arya, T, Goins, C.M, Maw, J.J, Macdonald, J.D, Stauffer, S.R.
登録日2023-04-10
公開日2024-02-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and Characterization of Selective, First-in-Class Inhibitors of Citron Kinase.
J.Med.Chem., 67, 2024
4LZM
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BU of 4lzm by Molmil
COMPARISON OF THE CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 LYSOZYME AT LOW, MEDIUM, AND HIGH IONIC STRENGTHS
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME
著者Bell, J.A, Wilson, K, Zhang, X.-J, Faber, H.R, Nicholson, H, Matthews, B.W.
登録日1991-01-25
公開日1992-07-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Comparison of the crystal structure of bacteriophage T4 lysozyme at low, medium, and high ionic strengths.
Proteins, 10, 1991
3KPC
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BU of 3kpc by Molmil
Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100
著者Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Chantar, M.L, Martinez-Cruz, L.A.
登録日2009-11-16
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair.
J.Mol.Biol., 396, 2010
3KPD
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BU of 3kpd by Molmil
Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine.
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100
著者Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Chantar, M.L, Martinez-Cruz, L.A.
登録日2009-11-16
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair.
J.Mol.Biol., 396, 2010
1BRV
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BU of 1brv by Molmil
SOLUTION NMR STRUCTURE OF THE IMMUNODOMINANT REGION OF PROTEIN G OF BOVINE RESPIRATORY SYNCYTIAL VIRUS, 48 STRUCTURES
分子名称: PROTEIN G
著者Doreleijers, J.F, Langedijk, J.P.M, Hard, K, Rullmann, J.A.C, Boelens, R, Schaaper, W.M, Van Oirschot, J.T, Kaptein, R.
登録日1996-03-29
公開日1997-06-05
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Solution structure of the immunodominant region of protein G of bovine respiratory syncytial virus.
Biochemistry, 35, 1996
1GKL
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BU of 1gkl by Molmil
S954A mutant of the feruloyl esterase module from clostridium thermocellum complexed with ferulic acid
分子名称: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ACETATE ION, CADMIUM ION, ...
著者Prates, J.A.M, Tarbouriech, N, Charnock, S.J, Fontes, C.M.G.A, Ferreira, L.M.A, Davies, G.J.
登録日2001-08-15
公開日2001-12-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The structure of the feruloyl esterase module of xylanase 10B from Clostridium thermocellum provides insights into substrate recognition.
Structure, 9, 2001
3KPB
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BU of 3kpb by Molmil
Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine.
分子名称: GLYCEROL, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100
著者Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Cruz, L.A.
登録日2009-11-16
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair.
J.Mol.Biol., 396, 2010
1G9O
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BU of 1g9o by Molmil
FIRST PDZ DOMAIN OF THE HUMAN NA+/H+ EXCHANGER REGULATORY FACTOR
分子名称: NHE-RF
著者Karthikeyan, S, Leung, T, Birrane, G, Webster, G, Ladias, J.A.A.
登録日2000-11-26
公開日2001-05-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the PDZ1 domain of human Na(+)/H(+) exchanger regulatory factor provides insights into the mechanism of carboxyl-terminal leucine recognition by class I PDZ domains.
J.Mol.Biol., 308, 2001
4LUP
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BU of 4lup by Molmil
Crystal structure of the complex formed by region of E. coli sigmaE bound to its -10 element non template strand
分子名称: 1,2-ETHANEDIOL, RNA polymerase sigma factor, region 2 of sigmaE of E. coli
著者Campagne, S, Marsh, M.E, Vorholt, J.A.V, Allain, F.H.-T, Capitani, G.
登録日2013-07-25
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural basis for -10 promoter element melting by environmentally induced sigma factors.
Nat.Struct.Mol.Biol., 21, 2014
4U87
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BU of 4u87 by Molmil
Crystal structure of the Ba-soaked C2 crystal form of pMV158 replication initiator RepB (P3221 space group)
分子名称: BARIUM ION, CHLORIDE ION, MANGANESE (II) ION, ...
著者Boer, D.R, Ruiz Maso, J.A, del Solar, G, Coll, M.
登録日2014-08-01
公開日2015-08-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Conformational plasticity of RepB, the replication initiator protein of promiscuous streptococcal plasmid pMV158.
Sci Rep, 6, 2016
4UNR
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BU of 4unr by Molmil
Mtb TMK in complex with compound 23
分子名称: 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNN
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BU of 4unn by Molmil
Mtb TMK in complex with compound 8
分子名称: 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-29
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015

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