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6DC4
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BU of 6dc4 by Molmil
RSV-neutralizing human antibody AM22
Descriptor: 1,2-ETHANEDIOL, Fab AM22 Heavy Chain, Fab AM22 Light Chain
Authors:Jones, H.G, McLellan, J.S.
Deposit date:2018-05-04
Release date:2019-07-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Alternative conformations of a major antigenic site on RSV F.
Plos Pathog., 15, 2019
5B32
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BU of 5b32 by Molmil
The crystal structure of the heterotypic H2AZ/H2A nucleosome with H3.3.
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
Authors:Horikoshi, N, Taguchi, H, Arimura, Y, Kurumizaka, H.
Deposit date:2016-02-08
Release date:2016-08-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structures of heterotypic nucleosomes containing histones H2A.Z and H2A.
Open Biology, 6, 2016
6DA5
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BU of 6da5 by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
Authors:Sevrioukova, I.F.
Deposit date:2018-05-01
Release date:2019-04-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
6DAG
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BU of 6dag by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
Authors:Sevrioukova, I.F.
Deposit date:2018-05-01
Release date:2019-04-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
6DC3
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BU of 6dc3 by Molmil
RSV prefusion F bound to RSD5 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab RSD5-Germline Heavy Chain, Fab RSD5-Germline Light Chain, ...
Authors:Battles, M.B, McLellan, J.S, Jones, H.J.
Deposit date:2018-05-04
Release date:2019-07-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.501 Å)
Cite:Alternative conformations of a major antigenic site on RSV F.
Plos Pathog., 15, 2019
4KMH
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BU of 4kmh by Molmil
Crystal structure of Suppressor of Fused d20
Descriptor: Suppressor of fused homolog
Authors:Zhang, Y, Qi, X, Zhang, Z, Wu, G.
Deposit date:2013-05-08
Release date:2013-11-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
4O6L
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BU of 4o6l by Molmil
Crystal Structure of TTK kinase domain with an inhibitor: 401498 (N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide)
Descriptor: Dual specificity protein kinase TTK, GLYCEROL, N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide
Authors:Qiu, W, Plotnikova, O, Feher, M, Awrey, D.E, Chirgadze, N.Y.
Deposit date:2013-12-22
Release date:2014-12-24
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal Structure of TTK kinase domain with an inhibitor: 401498
TO BE PUBLISHED
6DRZ
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BU of 6drz by Molmil
Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ...
Authors:McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L.
Deposit date:2018-06-13
Release date:2018-08-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
5WXN
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BU of 5wxn by Molmil
Structure of the LKB1 and 14-3-3 complex
Descriptor: 14-3-3 protein zeta/delta, Serine/threonine-protein kinase STK11
Authors:Ding, S, Shi, Z.B.
Deposit date:2017-01-08
Release date:2017-04-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Structure of the complex of phosphorylated liver kinase B1 and 14-3-3 zeta
Acta Crystallogr F Struct Biol Commun, 73, 2017
4OTN
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BU of 4otn by Molmil
Crystal structure of the C-terminal regulatory domain of murine GCN2
Descriptor: 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 2-alpha kinase 4, SULFATE ION
Authors:He, H, Georgiadis, M.M.
Deposit date:2014-02-13
Release date:2014-04-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of GCN2 Protein Kinase C-terminal Domains Suggest Regulatory Differences in Yeast and Mammals.
J.Biol.Chem., 289, 2014
5WZR
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BU of 5wzr by Molmil
Alpha-N-acetylgalactosaminidase NagBb from Bifidobacterium bifidum - Gal-NHAc-DNJ complex
Descriptor: Alpha-N-acetylgalactosaminidase, CALCIUM ION, N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide, ...
Authors:Sato, M, Arakawa, T, Ashida, H, Fushinobu, S.
Deposit date:2017-01-18
Release date:2017-06-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:The first crystal structure of a family 129 glycoside hydrolase from a probiotic bacterium reveals critical residues and metal cofactors
J. Biol. Chem., 292, 2017
6DRY
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BU of 6dry by Molmil
Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ...
Authors:McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L.
Deposit date:2018-06-13
Release date:2018-08-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.918 Å)
Cite:Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
5X0W
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BU of 5x0w by Molmil
Molecular mechanism for the binding between Sharpin and HOIP
Descriptor: E3 ubiquitin-protein ligase RNF31, Sharpin
Authors:Liu, J, Li, F, Cheng, X, Pan, L.
Deposit date:2017-01-23
Release date:2017-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Insights into SHARPIN-Mediated Activation of HOIP for the Linear Ubiquitin Chain Assembly
Cell Rep, 21, 2017
5X1C
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BU of 5x1c by Molmil
Crystal Structure of Human CRMP-2 without C-terminal Tail
Descriptor: Dihydropyrimidinase-related protein 2
Authors:Nitta, R, Tomabechi, Y, Aoki, M, Shirouzu, M.
Deposit date:2017-01-25
Release date:2017-09-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structural basis for CRMP2-induced axonal microtubule formation
Sci Rep, 7, 2017
2Q80
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BU of 2q80 by Molmil
Crystal structure of human geranylgeranyl pyrophosphate synthase bound to GGPP
Descriptor: GERANYLGERANYL DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Kavanagh, K.L, Dunford, J.E, Bunkoczi, G, Smee, C, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-06-08
Release date:2007-06-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure of human geranylgeranyl pyrophosphate synthase reveals a novel hexameric arrangement and inhibitory product binding
J.Biol.Chem., 281, 2006
5X3P
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BU of 5x3p by Molmil
Crystal structure of the UBX domain of human UBXD7
Descriptor: UBX domain-containing protein 7
Authors:Jiang, T, Li, Z, Wang, Y, Xu, M.
Deposit date:2017-02-06
Release date:2017-03-22
Last modified:2017-04-05
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Crystal structures of the UBX domain of human UBXD7 and its complex with p97 ATPase
Biochem. Biophys. Res. Commun., 486, 2017
5DX0
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BU of 5dx0 by Molmil
Crystal structure of CARM1, sinefungin, and H3 peptide (R17)
Descriptor: GLYCEROL, H3 peptide, Histone-arginine methyltransferase CARM1, ...
Authors:Boriack-Sjodin, P.A.
Deposit date:2015-09-23
Release date:2015-11-25
Last modified:2016-03-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates.
Acs Chem.Biol., 11, 2016
5X4L
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BU of 5x4l by Molmil
Crystal structure of the UBX domain of human UBXD7 in complex with p97 N domain
Descriptor: Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 7
Authors:Jiang, T, Li, Z, Wang, Y, Xu, M.
Deposit date:2017-02-13
Release date:2017-03-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Crystal structures of the UBX domain of human UBXD7 and its complex with p97 ATPase
Biochem. Biophys. Res. Commun., 486, 2017
5DWQ
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BU of 5dwq by Molmil
Crystal structure of CARM1, sinefungin, and methylated H3 peptide (R17)
Descriptor: GLYCEROL, Histone-arginine methyltransferase CARM1, SINEFUNGIN, ...
Authors:Boriack-Sjodin, P.A.
Deposit date:2015-09-22
Release date:2015-11-25
Last modified:2016-03-30
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates.
Acs Chem.Biol., 11, 2016
5XBF
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BU of 5xbf by Molmil
Crystal Structure of Myo7b C-terminal MyTH4-FERM in complex with USH1C PDZ3
Descriptor: ACETATE ION, D-MALATE, GLYCEROL, ...
Authors:Li, J, He, Y, Weck, W.L, Lu, Q, Tyska, M.J, Zhang, M.
Deposit date:2017-03-17
Release date:2017-05-17
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Structure of Myo7b/USH1C complex suggests a general PDZ domain binding mode by MyTH4-FERM myosins.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5X3S
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BU of 5x3s by Molmil
Crystal structure of mouse Plk1-PBD in complex with phosphopeptide from HEF1 (799-809)
Descriptor: Peptide from Enhancer of filamentation 1, Serine/threonine-protein kinase PLK1
Authors:Kim, J.H, Shin, S.C, Kim, E.E.
Deposit date:2017-02-07
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.899 Å)
Cite:Phosphorylation of human enhancer filamentation 1 (HEF1) stimulates interaction with Polo-like kinase 1 leading to HEF1 localization to focal adhesions.
J. Biol. Chem., 293, 2018
6DXD
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BU of 6dxd by Molmil
Crystal structure of chalcone synthase from Arabidopsis thaliana - C347S mutant
Descriptor: Chalcone synthase
Authors:Liou, G, Chiang, Y.C, Wang, Y, Weng, J.K.
Deposit date:2018-06-28
Release date:2018-10-17
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
6DO7
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BU of 6do7 by Molmil
NMR solution structure of wild type hFABP1 with GW7647
Descriptor: Fatty acid-binding protein, liver
Authors:Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R.
Deposit date:2018-06-09
Release date:2019-01-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists.
J. Biol. Chem., 294, 2019
5E74
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BU of 5e74 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH50
Descriptor: Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide
Authors:Lolli, G, Spiliotopoulos, D, Dolbois, A, Nevado, C, Caflisch, A.
Deposit date:2015-10-11
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
J. Med. Chem., 59, 2016
5X60
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BU of 5x60 by Molmil
Crystal structure of LSD1-CoREST in complex with peptide 9
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
Authors:Kikuchi, M, Amano, Y, Sato, S, Yokoyama, S, Umezawa, N, Higuchi, T, Umehara, T.
Deposit date:2017-02-20
Release date:2017-04-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Development and crystallographic evaluation of histone H3 peptide with N-terminal serine substitution as a potent inhibitor of lysine-specific demethylase 1.
Bioorg. Med. Chem., 25, 2017

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