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8A1P
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BU of 8a1p by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BI-D
Descriptor: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P.
Deposit date:2022-06-01
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.
Mbio, 14, 2023
8A1Q
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BU of 8a1q by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor STP0404 (Pirmitegravir)
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, 1,2-ETHANEDIOL, Integrase, ...
Authors:Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P.
Deposit date:2022-06-01
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.
Mbio, 14, 2023
7TA2
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BU of 7ta2 by Molmil
Crystal structure of the human sperm-expressed surface protein SPACA6
Descriptor: BROMIDE ION, Sperm acrosome membrane-associated protein 6
Authors:Vance, T.D.R, Yip, P, Jimenez, E, Uson, I, Lee, J.E.
Deposit date:2021-12-20
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:SPACA6 ectodomain structure reveals a conserved superfamily of gamete fusion-associated proteins.
Commun Biol, 5, 2022
7JU2
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BU of 7ju2 by Molmil
Crystal structure of the monomeric ETV6 PNT domain
Descriptor: FORMIC ACID, Transcription factor ETV6
Authors:Gerak, C.A.N, Kolesnikov, M, Murphy, M.E.P, McIntosh, L.P.
Deposit date:2020-08-19
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85002184 Å)
Cite:Biophysical characterization of the ETV6 PNT domain polymerization interfaces.
J.Biol.Chem., 296, 2021
1ZH2
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BU of 1zh2 by Molmil
Crystal Structure Of The Calcium-Bound Receiver Domain Of Kdp Potassium Transport System Response Regulator KdpE
Descriptor: CALCIUM ION, KDP operon transcriptional regulatory protein kdpE
Authors:Toro-Roman, A, Wu, T, Stock, A.M.
Deposit date:2005-04-22
Release date:2005-12-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:A common dimerization interface in bacterial response regulators KdpE and TorR.
Protein Sci., 14, 2005
6S60
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BU of 6s60 by Molmil
Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor
Descriptor: 4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4
Authors:Sturbaut, M, Allemand, F, Guichou, J.F.
Deposit date:2019-07-02
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors.
Eur.J.Med.Chem., 226, 2021
6S66
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BU of 6s66 by Molmil
Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor
Descriptor: 1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide, MYRISTIC ACID, Transcriptional enhancer factor TEF-4
Authors:Sturbaut, M, Allemand, F, Guichou, J.F.
Deposit date:2019-07-02
Release date:2020-07-22
Last modified:2022-02-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors.
Eur.J.Med.Chem., 226, 2021
5TLA
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BU of 5tla by Molmil
Crystal structure of mouse ISG15
Descriptor: Ubiquitin-like protein ISG15
Authors:Goodwin, O.Y, Dzimianski, J.V, Daczkowski, C.M, Pegan, S.D.
Deposit date:2016-10-10
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.244 Å)
Cite:Structural Insights into the Interaction of Coronavirus Papain-Like Proteases and Interferon-Stimulated Gene Product 15 from Different Species.
J. Mol. Biol., 429, 2017
1ZGZ
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BU of 1zgz by Molmil
Crystal Structure Of The Receiver Domain Of TMAO Respiratory System Response Regulator TorR
Descriptor: GLYCEROL, SULFATE ION, TorCAD operon transcriptional regulatory protein torR
Authors:Toro-Roman, A, Wu, T, Stock, A.M.
Deposit date:2005-04-22
Release date:2005-12-13
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A common dimerization interface in bacterial response regulators KdpE and TorR.
Protein Sci., 14, 2005
1ZH4
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BU of 1zh4 by Molmil
Crystal Structure Of The Mg+2/BeF3-Bound Receiver Domain Of Kdp Potassium Transport System Response Regulator KdpE
Descriptor: BERYLLIUM TRIFLUORIDE ION, KDP operon transcriptional regulatory protein kdpE, MAGNESIUM ION
Authors:Toro-Roman, A, Wu, T, Stock, A.M.
Deposit date:2005-04-22
Release date:2005-12-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A common dimerization interface in bacterial response regulators KdpE and TorR.
Protein Sci., 14, 2005
7S91
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BU of 7s91 by Molmil
Structure of the malate racemase mar2 apoprotein from Thermoanaerobacterium thermosaccharolyticum at 2.25 angstroms resolution
Descriptor: CHLORIDE ION, Malate racemase Mar2
Authors:Gatreddi, S, Hausinger, R.P, Hu, J.
Deposit date:2021-09-20
Release date:2021-10-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and mutational characterization of a malate racemase from the LarA superfamily.
Biometals, 36, 2023
4X2P
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BU of 4x2p by Molmil
P. putida mandelate racemase in complex with 3-hydroxypyruvate
Descriptor: 3-HYDROXYPYRUVIC ACID, MAGNESIUM ION, Mandelate racemase
Authors:Wyatt, B.N, St.Maurice, M.
Deposit date:2014-11-26
Release date:2015-10-14
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inactivation of Mandelate Racemase by 3-Hydroxypyruvate Reveals a Potential Mechanistic Link between Enzyme Superfamilies.
Biochemistry, 54, 2015
7DCK
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BU of 7dck by Molmil
Crystal structure of phosphodiesterase tw9814
Descriptor: Lactamase_B domain-containing protein, MANGANESE (II) ION
Authors:Heo, Y, Yun, J.H, Park, J.H, Park, S.B, Cha, S.S, Lee, W.
Deposit date:2020-10-26
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural and functional identification of the uncharacterized metallo-beta-lactamase superfamily protein TW9814 as a phosphodiesterase with unique metal coordination.
Acta Crystallogr D Struct Biol, 78, 2022
1BY2
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BU of 1by2 by Molmil
STRUCTURE OF M2BP SCAVENGER RECEPTOR CYSTEINE-RICH DOMAIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAC-2 BINDING PROTEIN
Authors:Hohenester, E, Sasaki, T, Timpl, R.
Deposit date:1998-10-23
Release date:1999-05-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a scavenger receptor cysteine-rich domain sheds light on an ancient superfamily.
Nat.Struct.Biol., 6, 1999
5TL6
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BU of 5tl6 by Molmil
Crystal structure of SARS-CoV papain-like protease in complex with the C-terminal domain of human ISG15
Descriptor: Replicase polyprotein 1ab, SULFATE ION, Ubiquitin-like protein ISG15, ...
Authors:Dzimianski, J.V, Daczkowski, C.M, Pegan, S.D.
Deposit date:2016-10-10
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.618 Å)
Cite:Structural Insights into the Interaction of Coronavirus Papain-Like Proteases and Interferon-Stimulated Gene Product 15 from Different Species.
J. Mol. Biol., 429, 2017
8U89
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BU of 8u89 by Molmil
The structure of the PP2A-B56Delta holoenzyme mutant - E197K
Descriptor: MANGANESE (II) ION, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit delta isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ...
Authors:Wu, C.G, Xing, Y.
Deposit date:2023-09-16
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:B56 delta long-disordered arms form a dynamic PP2A regulation interface coupled with global allostery and Jordan's syndrome mutations.
Proc.Natl.Acad.Sci.USA, 121, 2024
8U1X
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BU of 8u1x by Molmil
The structure of the PP2A-B56Delta holoenzyme mutant - E197K
Descriptor: MANGANESE (II) ION, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit delta isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ...
Authors:Wu, C.G, Xing, Y.
Deposit date:2023-09-04
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:B56 delta long-disordered arms form a dynamic PP2A regulation interface coupled with global allostery and Jordan's syndrome mutations.
Proc.Natl.Acad.Sci.USA, 121, 2024
8IK3
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BU of 8ik3 by Molmil
Structure of Stimulator of interferon genes/ligand complex
Descriptor: Stimulator of interferon genes protein,Immune protein Tsi3, cGAMP
Authors:Lu, D.F, Shang, G.J.
Deposit date:2023-02-28
Release date:2023-05-17
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The mechanism of STING autoinhibition and activation.
Mol.Cell, 83, 2023
5TL7
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BU of 5tl7 by Molmil
Crystal structure of SARS-CoV papain-like protease in complex with C-terminal domain mouse ISG15
Descriptor: Replicase polyprotein 1ab, Ubiquitin-like protein ISG15, ZINC ION
Authors:Daczkowski, C.D, Dzimianski, J.V, Pegan, S.D.
Deposit date:2016-10-10
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural Insights into the Interaction of Coronavirus Papain-Like Proteases and Interferon-Stimulated Gene Product 15 from Different Species.
J. Mol. Biol., 429, 2017
5JZE
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BU of 5jze by Molmil
Erve virus viral OTU domain protease in complex with mouse ISG15
Descriptor: CITRATE ANION, RNA-dependent RNA polymerase, Ubiquitin-like protein ISG15, ...
Authors:Deaton, M.K, Dzimianski, J.V, Pegan, S.D.
Deposit date:2016-05-16
Release date:2016-10-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Biochemical and Structural Insights into the Preference of Nairoviral DeISGylases for Interferon-Stimulated Gene Product 15 Originating from Certain Species.
J.Virol., 90, 2016
6NR8
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BU of 6nr8 by Molmil
hTRiC-hPFD Class6
Descriptor: Prefoldin subunit 1, Prefoldin subunit 2, Prefoldin subunit 3, ...
Authors:Gestaut, D.R, Roh, S.H, Ma, B, Pintilie, G, Joachimiak, L.A, Leitner, A, Walzthoeni, T, Aebersold, R, Chiu, W, Frydman, J.
Deposit date:2019-01-23
Release date:2019-06-19
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:The Chaperonin TRiC/CCT Associates with Prefoldin through a Conserved Electrostatic Interface Essential for Cellular Proteostasis.
Cell, 177, 2019
5OO7
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BU of 5oo7 by Molmil
The ENTH domain from epsin-2 in complex with phosphatidylinositol 4,5-bisphosphate (PIP2)
Descriptor: GLYCEROL, SLA2
Authors:Garcia-Alai, M, Meijers, R.
Deposit date:2017-08-06
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Epsin and Sla2 form assemblies through phospholipid interfaces.
Nat Commun, 9, 2018
4V0Q
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BU of 4v0q by Molmil
Dengue Virus Full Length NS5 Complexed with SAH
Descriptor: ACETATE ION, GLYCEROL, NS5 POLYMERASE, ...
Authors:Zhao, Y, Soh, S, Zheng, J, Phoo, W.W, Swaminathan, K, Cornvik, T.C, Lim, S.P, Shi, P.-Y, Lescar, J, Vasudevan, S.G, Luo, D.
Deposit date:2014-09-18
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Crystal Structure of the Dengue Virus Ns5 Protein Reveals a Novel Inter-Domain Interface Essential for Protein Flexibility and Virus Replication.
Plos Pathog., 11, 2015
7CMQ
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BU of 7cmq by Molmil
Crystal Structure of Bacillus sp. TB-90 Urate Oxidase Improved by Humidity Control at 88% RH.
Descriptor: 1,2-ETHANEDIOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
Authors:Hibi, T, Itoh, T, Nishiya, Y.
Deposit date:2020-07-28
Release date:2020-08-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Flexibility of a Distal Interface Loop Modulates Water Network in the Active Site of Bacillus sp. TB-90 Urate Oxidase
To be published
6OH9
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BU of 6oh9 by Molmil
Yeast Guanine Deaminase
Descriptor: NONAETHYLENE GLYCOL, SULFATE ION, Yeast Guanine Deaminase, ...
Authors:Shek, R.S, French, J.B.
Deposit date:2019-04-05
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Determinants for Substrate Selectivity in Guanine Deaminase Enzymes of the Amidohydrolase Superfamily.
Biochemistry, 58, 2019

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