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7DV4
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BU of 7dv4 by Molmil
Crystal structure of anti-CTLA-4 VH domain in complex with human CTLA-4
分子名称: 1,2-ETHANEDIOL, 4003-1(VH), Cytotoxic T-lymphocyte protein 4
著者Li, H, Gan, X, He, Y.
登録日2021-01-12
公開日2022-01-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献An anti-CTLA-4 heavy chain-only antibody with enhanced T reg depletion shows excellent preclinical efficacy and safety profile.
Proc.Natl.Acad.Sci.USA, 119, 2022
7NUR
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BU of 7nur by Molmil
Structure of the Toxoplasma gondii kinase Ron13, kinase-dead mutant
分子名称: Protein kinase domain-containing protein
著者Korkhov, V.M, Mehta, V.
登録日2021-03-13
公開日2021-05-26
最終更新日2021-07-07
実験手法ELECTRON MICROSCOPY (3.125 Å)
主引用文献Structural insights into an atypical secretory pathway kinase crucial for Toxoplasma gondii invasion.
Nat Commun, 12, 2021
6MCY
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BU of 6mcy by Molmil
Crystal structure of mouse Bak
分子名称: 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, FORMIC ACID
著者Brouwer, J.M, Czabotar, P.E, Colman, P.M.
登録日2018-09-03
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.748 Å)
主引用文献A small molecule interacts with VDAC2 to block mouse BAK-driven apoptosis.
Nat.Chem.Biol., 15, 2019
4QT1
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BU of 4qt1 by Molmil
JAK3 kinase domain in complex with 1-[(3S)-1-isobutylsulfonyl-3-piperidyl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
分子名称: 1-{(3S)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea, Tyrosine-protein kinase JAK3
著者Kuglstatter, A, Shao, A.
登録日2014-07-07
公開日2015-05-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Scaffold hopping towards potent and selective JAK3 inhibitors: discovery of novel C-5 substituted pyrrolopyrazines
Bioorg.Med.Chem.Lett., 24, 2014
5EPM
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BU of 5epm by Molmil
Ceratotoxin variant in complex with specific antibody Fab fragment
分子名称: Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, Beta-theraphotoxin-Cm1a
著者Strop, P, Shcherbatko, A, Rossi, A.
登録日2015-11-11
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Engineering Highly Potent and Selective Microproteins against Nav1.7 Sodium Channel for Treatment of Pain.
J.Biol.Chem., 291, 2016
6Z0J
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BU of 6z0j by Molmil
Crystal structure of laccase from Pediococcus acidilactici Pa5930 (Tris-HCl pH 8.5)
分子名称: COPPER (II) ION, Putative multicopper oxidase mco
著者Casino, P, Huesa, J, Pardo, I.
登録日2020-05-09
公開日2021-03-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural analysis and biochemical properties of laccase enzymes from two Pediococcus species.
Microb Biotechnol, 14, 2021
6Z0K
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BU of 6z0k by Molmil
Crystal structure of laccase from Pediococcus acidilactici Pp5930 (Hepes pH 7.5)
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, Putative multicopper oxidase mco
著者Casino, P, Huesa, J, Pardo, I.
登録日2020-05-09
公開日2021-03-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis and biochemical properties of laccase enzymes from two Pediococcus species.
Microb Biotechnol, 14, 2021
6EEC
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BU of 6eec by Molmil
Mycobacterium tuberculosis RNAP promoter unwinding intermediate complex with RbpA/CarD and AP3 promoter captured by Corallopyronin
分子名称: DNA (63-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J.
登録日2018-08-13
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Structures of an RNA polymerase promoter melting intermediate elucidate DNA unwinding.
Nature, 565, 2019
6EDT
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BU of 6edt by Molmil
Mycobacterium tuberculosis RNAP open promoter complex with RbpA/CarD and AP3 promoter
分子名称: DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J.
登録日2018-08-10
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY
主引用文献Structures of an RNA polymerase promoter melting intermediate elucidate DNA unwinding.
Nature, 565, 2019
6EE8
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BU of 6ee8 by Molmil
Mycobacterium tuberculosis RNAP promoter unwinding intermediate complex with RbpA/CarD and AP3 promoter
分子名称: DNA (60-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J.
登録日2018-08-13
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.92 Å)
主引用文献Structures of an RNA polymerase promoter melting intermediate elucidate DNA unwinding.
Nature, 565, 2019
7NIU
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BU of 7niu by Molmil
Nanodisc reconstituted human ABCB4 in complex with 4B1-Fab and QA2-Fab (apo-inward-open conformation)
分子名称: 4B1 Fab-fragment heavy chain, 4B1 Fab-fragment light chain, CHOLESTEROL, ...
著者Nosol, K, Locher, K.P.
登録日2021-02-14
公開日2021-08-25
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structures of ABCB4 provide insight into phosphatidylcholine translocation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7NIV
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BU of 7niv by Molmil
Nanodisc reconstituted human ABCB4 in complex with 4B1-Fab and QA2-Fab (phosphatidylcholine-bound, occluded conformation)
分子名称: 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 4B1 Fab-fragment light chain, CHOLESTEROL, ...
著者Nosol, K, Locher, K.P.
登録日2021-02-14
公開日2021-08-25
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structures of ABCB4 provide insight into phosphatidylcholine translocation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7NIW
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BU of 7niw by Molmil
Nanodisc reconstituted human ABCB4 in complex with 4B1-Fab (posaconazole-bound, inward-open conformation)
分子名称: 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 4B1 Fab-fragment heavy chain, 4B1 Fab-fragment light chain, ...
著者Nosol, K, Locher, K.P.
登録日2021-02-14
公開日2021-08-25
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structures of ABCB4 provide insight into phosphatidylcholine translocation.
Proc.Natl.Acad.Sci.USA, 118, 2021
4E43
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BU of 4e43 by Molmil
HIV protease (PR) dimer with acetate in exo site and peptide in active site
分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
著者Stout, C.D.
登録日2012-03-11
公開日2012-05-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
4IYP
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BU of 4iyp by Molmil
structure of the nPP2Ac-alpha4 complex
分子名称: Immunoglobulin-binding protein 1, Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform
著者Jiang, L, Stanevich, V, Satyshur, K.A, Xing, Y.
登録日2013-01-29
公開日2013-04-17
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.797 Å)
主引用文献Structural basis of protein phosphatase 2A stable latency.
Nat Commun, 4, 2013
6GS4
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BU of 6gs4 by Molmil
Crystal structure of peptide transporter DtpA-nanobody in complex with valganciclovir
分子名称: DODECYL-BETA-D-MALTOSIDE, Dipeptide and tripeptide permease A, [(2~{S})-2-[(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{S})-2-azanyl-3-methyl-butanoate, ...
著者Ural-Blimke, Y, Flayhan, A, Quistgaard, E.M, Loew, C.
登録日2018-06-13
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.645 Å)
主引用文献Structure of Prototypic Peptide Transporter DtpA from E. coli in Complex with Valganciclovir Provides Insights into Drug Binding of Human PepT1.
J. Am. Chem. Soc., 141, 2019
6GS7
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BU of 6gs7 by Molmil
Crystal structure of peptide transporter DtpA-nanobody in glycine buffer
分子名称: Dipeptide and tripeptide permease A, nanobody
著者Ural-Blimke, Y, Flayhan, A, Quistgaard, E.M, Loew, C.
登録日2018-06-13
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of Prototypic Peptide Transporter DtpA from E. coli in Complex with Valganciclovir Provides Insights into Drug Binding of Human PepT1.
J. Am. Chem. Soc., 141, 2019
4LAC
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BU of 4lac by Molmil
Crystal Structure of Protein Phosphatase 2A (PP2A) and PP2A phosphatase activator (PTPA) complex with ATPgammaS
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
著者Guo, F, Stanevich, V, Wlodarchak, N, Satyshur, K.A, Xing, Y.
登録日2013-06-19
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structural basis of PP2A activation by PTPA, an ATP-dependent activation chaperone.
Cell Res., 24, 2014
6GS1
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BU of 6gs1 by Molmil
Crystal structure of peptide transporter DtpA-nanobody in MES buffer
分子名称: Dipeptide and tripeptide permease A, Nanobody 00
著者Ural-Blimke, Y, Flayhan, A, Loew, C, Quistgaard, E.M.
登録日2018-06-13
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Structure of Prototypic Peptide Transporter DtpA from E. coli in Complex with Valganciclovir Provides Insights into Drug Binding of Human PepT1.
J. Am. Chem. Soc., 141, 2019
3KRG
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BU of 3krg by Molmil
Structural insights into substrate specificity and the anti beta-elimination mechanism of pectate lyase
分子名称: COBALT (II) ION, GLYCEROL, Pectate lyase, ...
著者Pickersgill, R.W, To, T.T.
登録日2009-11-18
公開日2010-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into substrate specificity and the anti beta-elimination mechanism of pectate lyase
Biochemistry, 49, 2010
4OIQ
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BU of 4oiq by Molmil
Crystal structure of Thermus thermophilus transcription initiation complex soaked with GE23077 and rifampicin
分子名称: (2Z)-2-methylbut-2-enoic acid, 5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', ...
著者Zhang, Y, Ebright, R.H, Arnold, E.
登録日2014-01-20
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.624 Å)
主引用文献GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
4MQ9
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BU of 4mq9 by Molmil
Crystal structure of Thermus thermophilus RNA polymerase holoenzyme in complex with GE23077
分子名称: (2Z)-2-methylbut-2-enoic acid, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Ho, M.X, Arnold, E, Ebright, R.H, Zhang, Y, Tuske, S.
登録日2013-09-16
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
4OIR
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BU of 4oir by Molmil
Crystal structure of Thermus thermophilus RNA polymerase transcription initiation complex soaked with GE23077 and rifamycin SV
分子名称: (2Z)-2-methylbut-2-enoic acid, 5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', ...
著者Zhang, Y, Ebright, R.H, Arnold, E.
登録日2014-01-20
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.105 Å)
主引用文献GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
7KMY
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BU of 7kmy by Molmil
Structure of Mtb Lpd bound to 010705
分子名称: Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Lima, C.D.
登録日2020-11-03
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Whole Cell Active Inhibitors of Mycobacterial Lipoamide Dehydrogenase Afford Selectivity over the Human Enzyme through Tight Binding Interactions.
Acs Infect Dis., 7, 2021
4OIN
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BU of 4oin by Molmil
Crystal structure of Thermus thermophilus transcription initiation complex soaked with GE23077
分子名称: (2Z)-2-methylbut-2-enoic acid, 5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', ...
著者Zhang, Y, Ebright, R.H, Arnold, E.
登録日2014-01-20
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014

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