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6MQ5
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BU of 6mq5 by Molmil
Structure of human CLASP1 TOG1
Descriptor: CLIP-associating protein 1
Authors:Leano, J.B, Slep, K.C.
Deposit date:2018-10-09
Release date:2019-07-17
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.146 Å)
Cite:Structures of TOG1 and TOG2 from the human microtubule dynamics regulator CLASP1.
Plos One, 14, 2019
6N0X
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BU of 6n0x by Molmil
Crystal structure of Anaerolinea thermophila mevalonate 5-phosphate decarboxylase complexed with (R)-MVAP
Descriptor: (3R)-3-HYDROXY-3-METHYL-5-(PHOSPHONOOXY)PENTANOIC ACID, Diphosphomevalonate decarboxylase
Authors:Noel, J.P, Thomas, S.T, Louie, G.V.
Deposit date:2018-11-07
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Substrate Specificity and Engineering of Mevalonate 5-Phosphate Decarboxylase.
Acs Chem.Biol., 14, 2019
8F7C
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BU of 8f7c by Molmil
Cryo-EM structure of human pannexin 2
Descriptor: Pannexin-2, Soluble cytochrome b562 fusion
Authors:He, Z, Yuan, P.
Deposit date:2022-11-18
Release date:2023-04-05
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Structural and functional analysis of human pannexin 2 channel.
Nat Commun, 14, 2023
6MOO
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BU of 6moo by Molmil
Co-Crystal structure of P. aeruginosa LpxC-achn975 complex
Descriptor: N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R.
Deposit date:2018-10-04
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
8ES7
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BU of 8es7 by Molmil
CryoEM structure of PN45545 TCR-CD3 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
Authors:Saotome, K, Franklin, M.C.
Deposit date:2022-10-13
Release date:2023-05-03
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structural analysis of cancer-relevant TCR-CD3 and peptide-MHC complexes by cryoEM.
Nat Commun, 14, 2023
8ES9
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BU of 8es9 by Molmil
CryoEM structure of PN45428 TCR-CD3 in complex with HLA-A2 MAGEA4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Saotome, K, Franklin, M.C.
Deposit date:2022-10-13
Release date:2023-05-03
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural analysis of cancer-relevant TCR-CD3 and peptide-MHC complexes by cryoEM.
Nat Commun, 14, 2023
8ES8
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BU of 8es8 by Molmil
CryoEM structure of PN45545 TCR-CD3 in complex with HLA-A2 MAGEA4 (230-239)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Saotome, K, Franklin, M.C.
Deposit date:2022-10-13
Release date:2023-05-03
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Structural analysis of cancer-relevant TCR-CD3 and peptide-MHC complexes by cryoEM.
Nat Commun, 14, 2023
4NJ8
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BU of 4nj8 by Molmil
Crystal structure of the human ANKS3 SAM Domain L52A mutant
Descriptor: Ankyrin repeat and SAM domain-containing protein 3
Authors:Leettola, C.N, Cascio, D, Bowie, J.U.
Deposit date:2013-11-08
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Characterization of the SAM domain of the PKD-related protein ANKS6 and its interaction with ANKS3.
Bmc Struct.Biol., 14, 2014
8EON
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BU of 8eon by Molmil
Pseudomonas phage E217 baseplate complex
Descriptor: Baseplate component gp33, Baseplate component gp34, Baseplate component gp36, ...
Authors:Li, F, Cingolani, G, Hou, C.
Deposit date:2022-10-03
Release date:2023-07-26
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:High-resolution cryo-EM structure of the Pseudomonas bacteriophage E217.
Nat Commun, 14, 2023
6N0Y
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BU of 6n0y by Molmil
Crystal structure of Anaerolinea thermophila mevalonate 5-phosphate decarboxylase complexed with (R)-MVAPP
Descriptor: (3R)-3-HYDROXY-5-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}-3-METHYLPENTANOIC ACID, Diphosphomevalonate decarboxylase
Authors:Noel, J.P, Thomas, S.T, Louie, G.V.
Deposit date:2018-11-07
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate Specificity and Engineering of Mevalonate 5-Phosphate Decarboxylase.
Acs Chem.Biol., 14, 2019
2YMD
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BU of 2ymd by Molmil
Crystal structure of a mutant binding protein (5HTBP-AChBP) in complex with serotonin (5-hydroxytryptamine)
Descriptor: GLYCEROL, PHOSPHATE ION, SEROTONIN, ...
Authors:Kesters, D, Thompson, A.J, Brams, M, Elk, R.v, Spurny, R, Geitmann, M, Villalgordo, J.M, Guskov, A, Danielson, U.H, Lummis, S.C.R, Smit, A.B, Ulens, C.
Deposit date:2012-10-09
Release date:2012-12-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural Basis of Ligand Recognition in 5-Ht(3) Receptors.
Embo Rep., 14, 2013
6N87
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BU of 6n87 by Molmil
Plasmodium falciparum FVO apical membrane antigen 1 (AMA1) bound to MTSL spin-labelled cyclised RON2 peptide
Descriptor: Apical membrane antigen-1, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, backbone-cyclised peptide bcRON2hp
Authors:McGowan, S, Drinkwater, N.
Deposit date:2018-11-28
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.588 Å)
Cite:Identification of the Binding Site of Apical Membrane Antigen 1 (AMA1) Inhibitors Using a Paramagnetic Probe.
ChemMedChem, 14, 2019
6NDL
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BU of 6ndl by Molmil
Crystal structure of Staphylococcus aureus biotin protein ligase in complex with a sulfonamide inhibitor
Descriptor: 1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{S})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea, Biotin Protein Ligase, GLYCEROL
Authors:Marshall, A.C, Polyak, S.W, Bruning, J.B, Lee, K.
Deposit date:2018-12-13
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sulfonamide-Based Inhibitors of Biotin Protein Ligase as New Antibiotic Leads.
Acs Chem.Biol., 14, 2019
8ENZ
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BU of 8enz by Molmil
Crystal structure of alpha-COPI-WD40 domain K15A mutant.
Descriptor: ACETYL GROUP, Putative coatomer subunit alpha
Authors:Dey, D, Hasan, S.S.
Deposit date:2022-09-30
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs.
Nat Commun, 14, 2023
8ENY
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BU of 8eny by Molmil
Crystal structure of alpha-COPI-WD40 domain R13A mutant.
Descriptor: ACETYL GROUP, Putative coatomer subunit alpha
Authors:Dey, D, Hasan, S.S.
Deposit date:2022-09-30
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs.
Nat Commun, 14, 2023
8EO0
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BU of 8eo0 by Molmil
Crystal structure of alpha-COPI WD40 domain R300A mutant.
Descriptor: ACETYL GROUP, Putative coatomer subunit alpha
Authors:Dey, D, Hasan, S.S.
Deposit date:2022-10-01
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs.
Nat Commun, 14, 2023
8FB1
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BU of 8fb1 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 6a ANDINDAZOLE ACID BOUND IN H12-POCKET
Descriptor: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)-4-fluorobenzene-1-sulfonamide, Nuclear receptor ROR-gamma
Authors:Vajdos, F.F.
Deposit date:2022-11-29
Release date:2023-03-01
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists.
Acs Med.Chem.Lett., 14, 2023
8FAV
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BU of 8fav by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 5 ANDINDAZOLE ACID BOUND IN H12-POCKET
Descriptor: 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, Nuclear receptor ROR-gamma, ...
Authors:Vajdos, F.F.
Deposit date:2022-11-28
Release date:2023-03-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists.
Acs Med.Chem.Lett., 14, 2023
8FB2
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BU of 8fb2 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 8 ANDINDAZOLE ACID BOUND IN H12-POCKET
Descriptor: (1R,15S)-16-(cyclopropylacetyl)-5-fluoro-20-methyl-9lambda~6~-thia-1,8,16-triazatricyclo[13.3.1.1~3,7~]icosa-3(20),4,6-triene-9,9-dione, 4-[1-(2,6-dichlorobenzoyl)-4-fluoro-1H-indazol-3-yl]benzoic acid, Nuclear receptor ROR-gamma
Authors:Vajdos, F.F.
Deposit date:2022-11-29
Release date:2023-03-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists.
Acs Med.Chem.Lett., 14, 2023
8FV5
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BU of 8fv5 by Molmil
Representation of 16-mer phiPA3 PhuN Lattice, p2
Descriptor: Maltose/maltodextrin-binding periplasmic protein, phiPA3 PhuN
Authors:Nieweglowska, E.S, Brilot, A.F, Mendez-Moran, M, Kokontis, C, Baek, M, Li, J, Cheng, Y, Baker, D, Bondy-Denomy, J, Agard, D.A.
Deposit date:2023-01-18
Release date:2023-03-01
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.21 Å)
Cite:The phi PA3 phage nucleus is enclosed by a self-assembling 2D crystalline lattice.
Nat Commun, 14, 2023
8FJL
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BU of 8fjl by Molmil
Golden Shiner Reovirus Core Tropical Vertex
Descriptor: Clamp protein VP6, Major inner capsid protein VP3, Microtubule-associated protein VP5, ...
Authors:Stevens, A.S, Zhou, Z.H.
Deposit date:2022-12-19
Release date:2023-03-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Asymmetric reconstruction of the aquareovirus core at near-atomic resolution and mechanism of transcription initiation.
Protein Cell, 14, 2023
8FJK
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BU of 8fjk by Molmil
Golden Shiner Reovirus Core Polar Vertex
Descriptor: Clamp protein VP6, Major inner capsid protein VP3, Microtubule-associated protein VP5, ...
Authors:Stevens, A.S, Zhou, Z.H.
Deposit date:2022-12-19
Release date:2023-03-22
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Asymmetric reconstruction of the aquareovirus core at near-atomic resolution and mechanism of transcription initiation.
Protein Cell, 14, 2023
8G1F
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BU of 8g1f by Molmil
Structure of ACLY-D1026A-products
Descriptor: (3S)-citryl-Coenzyme A, ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Wei, X, Marmorstein, R.
Deposit date:2023-02-02
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Allosteric role of the citrate synthase homology domain of ATP citrate lyase.
Nat Commun, 14, 2023
8FVH
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BU of 8fvh by Molmil
Pseudomonas phage E217 neck (portal, head-to-tail connector, collar and gateway proteins)
Descriptor: E217 collar protein gp28, E217 gateway protein gp29, E217 head-to-tail connector protein gp27, ...
Authors:Li, F, Cingolani, G, Hou, C.
Deposit date:2023-01-18
Release date:2023-07-26
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:High-resolution cryo-EM structure of the Pseudomonas bacteriophage E217.
Nat Commun, 14, 2023
6NBS
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BU of 6nbs by Molmil
WT ERK2 with compound 2507-8
Descriptor: (5S)-5-benzyl-4,5-dihydro-1H-imidazol-2-amine, GLYCEROL, Mitogen-activated protein kinase 1, ...
Authors:Sammons, R.M, Perry, N.A, Cho, E.J, Kaoud, T.S, Zamora-Olivares, D.P, Piserchio, A, Houghten, R.A, Giulianotti, M, Li, Y, Debevec, G, Gurevich, V.V, Ghose, R, Iverson, T.M, Dalby, K.N.
Deposit date:2018-12-10
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Novel Class of Common Docking Domain Inhibitors That Prevent ERK2 Activation and Substrate Phosphorylation.
Acs Chem.Biol., 14, 2019

223532

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