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5V5G
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BU of 5v5g by Molmil
OTU protease of Crimean Congo Hemorrhagic Fever Virus bound to ubiquitin variant CC.4
Descriptor: 1,2-ETHANEDIOL, RNA-directed RNA polymerase L, SODIUM ION, ...
Authors:Khare, B, Mark, B.L.
Deposit date:2017-03-14
Release date:2017-05-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Potent and selective inhibition of pathogenic viruses by engineered ubiquitin variants.
PLoS Pathog., 13, 2017
5V5I
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BU of 5v5i by Molmil
OTU protease of Crimean Congo Hemorrhagic Fever Virus bound to ubiquitin variant CC.1
Descriptor: RNA-directed RNA polymerase L, Ubiquitin variant CC.1
Authors:Khare, B, Mark, B.L.
Deposit date:2017-03-14
Release date:2017-05-10
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:OTU protease of Crimean Congo Hemorrhagic Fever Virus bound to ubiquitin variant CC.1
To be published
8I71
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BU of 8i71 by Molmil
Hepatitis B virus core protein Y132A mutant in complex with Linvencorvir (RG7907), a Hepatitis B Virus (HBV) Core Protein Allosteric Modulator (CpAM)
Descriptor: 3-[(8~{a}~{S})-7-[[5-ethoxycarbonyl-4-(3-fluoranyl-2-methyl-phenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxidanylidene-5,6,8,8~{a}-tetrahydro-1~{H}-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethyl-propanoic acid, CHLORIDE ION, Capsid protein, ...
Authors:Zhou, Z, Xu, Z.H.
Deposit date:2023-01-30
Release date:2023-03-22
Last modified:2023-04-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Linvencorvir (RG7907), a Hepatitis B Virus Core Protein Allosteric Modulator, for the Treatment of Chronic HBV Infection.
J.Med.Chem., 66, 2023
3IUF
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BU of 3iuf by Molmil
Crystal structure of the C2H2-type zinc finger domain of human ubi-d4
Descriptor: ZINC ION, Zinc finger protein ubi-d4
Authors:Tempel, W, Xu, C, Bian, C, Adams-Cioaba, M, Eryilmaz, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2009-08-31
Release date:2009-11-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the Cys2His2-type zinc finger domain of human DPF2.
Biochem.Biophys.Res.Commun., 413, 2011
8D95
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BU of 8d95 by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: Complement factor D, N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-09
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.166 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8DEA
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BU of 8dea by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide, Complement factor D, GLYCEROL
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-20
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.214 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8DG6
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BU of 8dg6 by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: 1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide, Complement factor D
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-23
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8SRO
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BU of 8sro by Molmil
FoxP3 tetramer on TTTG repeats
Descriptor: DNA 72-mer, Forkhead box protein P3
Authors:Leng, F, Hur, S.
Deposit date:2023-05-05
Release date:2023-10-18
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:FOXP3 recognizes microsatellites and bridges DNA through multimerization.
Nature, 624, 2023
8SRP
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BU of 8srp by Molmil
FoxP3 forms Ladder-like multimer to bridge TTTG repeats
Descriptor: DNA 72-mer, Forkhead box protein P3
Authors:Leng, F, Hur, S.
Deposit date:2023-05-05
Release date:2023-10-18
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:FOXP3 recognizes microsatellites and bridges DNA through multimerization.
Nature, 624, 2023
3B6Q
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BU of 3b6q by Molmil
Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) Mutant T686A in Complex with Glutamate at 2.0 Resolution
Descriptor: GLUTAMIC ACID, Glutamate receptor 2, SULFATE ION
Authors:Cho, Y, Lolis, E, Howe, J.R.
Deposit date:2007-10-29
Release date:2008-02-05
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and single-channel results indicate that the rates of ligand binding domain closing and opening directly impact AMPA receptor gating.
J.Neurosci., 28, 2008
3B6W
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BU of 3b6w by Molmil
Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) T686S Mutant in Complex with Glutamate at 1.7 Resolution
Descriptor: GLUTAMIC ACID, Glutamate receptor 2, SULFATE ION
Authors:Cho, Y, Lolis, E, Howe, J.R.
Deposit date:2007-10-29
Release date:2008-02-05
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and single-channel results indicate that the rates of ligand binding domain closing and opening directly impact AMPA receptor gating.
J.Neurosci., 28, 2008
8JNI
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BU of 8jni by Molmil
Structure of AE2 in complex with PIP2
Descriptor: Anion exchange protein 2, CHLORIDE ION, [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate
Authors:Yin, Y.X, Ding, D.
Deposit date:2023-06-06
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and functional insights into the lipid regulation of human anion exchanger 2.
Nat Commun, 15, 2024
8JNJ
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BU of 8jnj by Molmil
Structure of R932A/K1147A/H1148A mutant AE2
Descriptor: Anion exchange protein 2
Authors:Yin, Y.X, Ding, D.
Deposit date:2023-06-06
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural and functional insights into the lipid regulation of human anion exchanger 2.
Nat Commun, 15, 2024
5C7J
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BU of 5c7j by Molmil
CRYSTAL STRUCTURE OF NEDD4 WITH A UB VARIANT
Descriptor: E3 ubiquitin-protein ligase NEDD4, Polyubiquitin-C
Authors:Walker, J.R, Hu, J, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2015-06-24
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
5HPS
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BU of 5hps by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: WWP1 and UbV P1.1
Descriptor: Ubiquitin variant P1.1, WWP1 HECT
Authors:Wu, K.-P, Mercredi, P.Y, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
5HPK
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BU of 5hpk by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: NEDD4L and UbV NL.1
Descriptor: E3 ubiquitin-protein ligase NEDD4-like, Ubiquitin variant NL.1
Authors:Wu, K.-P, Mukherjee, M, Mercredi, P.Y, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.431 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
5HPT
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BU of 5hpt by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: WWP1, Ubv P2.3 and UBCH7
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP1, Ubiquitin variant P2.3, Ubiquitin-conjugating enzyme E2 L3
Authors:Wu, K.-P, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
5HPL
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BU of 5hpl by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: Rsp5 and UbV R5.4
Descriptor: Rsp5, Ubiquitin variant R5.4
Authors:Wu, K.-P, Kamadurai, H.B, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
7EQ2
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BU of 7eq2 by Molmil
Crystal structure of GDP-bound Rab1a-T75D
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, COBALT HEXAMMINE(III), ...
Authors:Cao, Y.L, Gu, D.D, Gao, S.
Deposit date:2021-04-28
Release date:2022-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55090284 Å)
Cite:Aurora kinase A-mediated phosphorylation triggers structural alteration of Rab1A to enhance ER complexity during mitosis
Nat.Struct.Mol.Biol., 2024
4Y07
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BU of 4y07 by Molmil
Crystal structure of the HECT domain of human WWP2
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP2
Authors:Gong, W, Li, J, Li, Z, Xu, Y.
Deposit date:2015-02-05
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.507 Å)
Cite:Structure of the HECT domain of human WWP2
Acta Crystallogr.,Sect.F, 71, 2015
7YR5
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BU of 7yr5 by Molmil
Embigin facilitates monocarboxylate transporter 1 localization to plasma membrane and transition to a decoupling state
Descriptor: Embigin, Monocarboxylate transporter 1
Authors:Xu, B, Ye, S.
Deposit date:2022-08-08
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (3.63 Å)
Cite:Embigin facilitates monocarboxylate transporter 1 localization to the plasma membrane and transition to a decoupling state.
Cell Rep, 40, 2022
4XNW
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BU of 4xnw by Molmil
The human P2Y1 receptor in complex with MRS2500
Descriptor: P2Y purinoceptor 1,Rubredoxin,P2Y purinoceptor 1, ZINC ION, [(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate
Authors:Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR)
Deposit date:2015-01-16
Release date:2015-04-01
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Two disparate ligand-binding sites in the human P2Y1 receptor
Nature, 520, 2015
4WIV
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BU of 4wiv by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a novel inhibitor UMB32 (N-TERT-BUTYL-2-[4-(3,5-DIMETHYL-1,2-OXAZOL-4-YL) PHENYL]IMIDAZO[1,2-A]PYRAZIN-3-AMINE)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ...
Authors:Xu, X, Blacklow, S.
Deposit date:2014-09-26
Release date:2014-10-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Biased multicomponent reactions to develop novel bromodomain inhibitors.
J.Med.Chem., 57, 2014
6PWW
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BU of 6pww by Molmil
Cryo-EM structure of MLL1 in complex with RbBP5 and WDR5 bound to the nucleosome
Descriptor: DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
Deposit date:2019-07-23
Release date:2019-12-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
6PWX
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BU of 6pwx by Molmil
Cryo-EM structure of RbBP5 bound to the nucleosome
Descriptor: DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
Deposit date:2019-07-23
Release date:2019-12-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019

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