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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
Descriptor: 1,2-ETHANEDIOL, 4003-1(VH), Cytotoxic T-lymphocyte protein 4
Authors:Li, H, Gan, X, He, Y.
Deposit date:2021-01-12
Release date:2022-01-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite: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
Descriptor: Protein kinase domain-containing protein
Authors:Korkhov, V.M, Mehta, V.
Deposit date:2021-03-13
Release date:2021-05-26
Last modified:2021-07-07
Method:ELECTRON MICROSCOPY (3.125 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, FORMIC ACID
Authors:Brouwer, J.M, Czabotar, P.E, Colman, P.M.
Deposit date:2018-09-03
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.748 Å)
Cite: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
Descriptor: 1-{(3S)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2014-07-07
Release date:2015-05-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, Beta-theraphotoxin-Cm1a
Authors:Strop, P, Shcherbatko, A, Rossi, A.
Deposit date:2015-11-11
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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)
Descriptor: COPPER (II) ION, Putative multicopper oxidase mco
Authors:Casino, P, Huesa, J, Pardo, I.
Deposit date:2020-05-09
Release date:2021-03-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, Putative multicopper oxidase mco
Authors:Casino, P, Huesa, J, Pardo, I.
Deposit date:2020-05-09
Release date:2021-03-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: DNA (63-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J.
Deposit date:2018-08-13
Release date:2018-11-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite: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
Descriptor: DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J.
Deposit date:2018-08-10
Release date:2018-11-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY
Cite: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
Descriptor: DNA (60-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J.
Deposit date:2018-08-13
Release date:2018-11-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite: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)
Descriptor: 4B1 Fab-fragment heavy chain, 4B1 Fab-fragment light chain, CHOLESTEROL, ...
Authors:Nosol, K, Locher, K.P.
Deposit date:2021-02-14
Release date:2021-08-25
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite: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)
Descriptor: 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 4B1 Fab-fragment light chain, CHOLESTEROL, ...
Authors:Nosol, K, Locher, K.P.
Deposit date:2021-02-14
Release date:2021-08-25
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite: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)
Descriptor: 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 4B1 Fab-fragment heavy chain, 4B1 Fab-fragment light chain, ...
Authors:Nosol, K, Locher, K.P.
Deposit date:2021-02-14
Release date:2021-08-25
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite: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
Descriptor: ACETATE ION, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
Authors:Stout, C.D.
Deposit date:2012-03-11
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite: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
Descriptor: Immunoglobulin-binding protein 1, Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform
Authors:Jiang, L, Stanevich, V, Satyshur, K.A, Xing, Y.
Deposit date:2013-01-29
Release date:2013-04-17
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.797 Å)
Cite: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
Descriptor: 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, ...
Authors:Ural-Blimke, Y, Flayhan, A, Quistgaard, E.M, Loew, C.
Deposit date:2018-06-13
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.645 Å)
Cite: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
Descriptor: Dipeptide and tripeptide permease A, nanobody
Authors:Ural-Blimke, Y, Flayhan, A, Quistgaard, E.M, Loew, C.
Deposit date:2018-06-13
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.3 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
Authors:Guo, F, Stanevich, V, Wlodarchak, N, Satyshur, K.A, Xing, Y.
Deposit date:2013-06-19
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.82 Å)
Cite: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
Descriptor: Dipeptide and tripeptide permease A, Nanobody 00
Authors:Ural-Blimke, Y, Flayhan, A, Loew, C, Quistgaard, E.M.
Deposit date:2018-06-13
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.29 Å)
Cite: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
Descriptor: COBALT (II) ION, GLYCEROL, Pectate lyase, ...
Authors:Pickersgill, R.W, To, T.T.
Deposit date:2009-11-18
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: (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', ...
Authors:Zhang, Y, Ebright, R.H, Arnold, E.
Deposit date:2014-01-20
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.624 Å)
Cite: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
Descriptor: (2Z)-2-methylbut-2-enoic acid, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Ho, M.X, Arnold, E, Ebright, R.H, Zhang, Y, Tuske, S.
Deposit date:2013-09-16
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.35 Å)
Cite: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
Descriptor: (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', ...
Authors:Zhang, Y, Ebright, R.H, Arnold, E.
Deposit date:2014-01-20
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.105 Å)
Cite: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
Descriptor: Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Lima, C.D.
Deposit date:2020-11-03
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite: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
Descriptor: (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', ...
Authors:Zhang, Y, Ebright, R.H, Arnold, E.
Deposit date:2014-01-20
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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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