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7MP3
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BU of 7mp3 by Molmil
Grb7-SH2 domain in complex with bicyclic peptide B8
Descriptor: Growth factor receptor-bound protein 7, bicyclic peptide B8
Authors:Colson, R, Wilce, M.C.J, Wilce, J.A.
Deposit date:2021-05-04
Release date:2022-02-02
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Enhancing the Bioactivity of Bicyclic Peptides Targeted to Grb7-SH2 by Restoring Cell Permeability.
Biomedicines, 10, 2022
5UHP
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BU of 5uhp by Molmil
Crystal structure of the core catalytic domain of human O-GlcNAcase
Descriptor: GLYCEROL, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain
Authors:Klein, D.J, Elsen, N.L.
Deposit date:2017-01-11
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal structure of the core catalytic domain of human O-GlcNAcase and molecular basis of activity and inhibition
To Be Published
5TYQ
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BU of 5tyq by Molmil
Crystal structure of a holoenzyme methyltransferase involved in the biosynthesis of gentamicin
Descriptor: MAGNESIUM ION, Putative gentamicin methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Bury, P, Huang, F, Leadlay, P, Dias, M.V.B.
Deposit date:2016-11-21
Release date:2017-11-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.163 Å)
Cite:Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis.
ACS Chem. Biol., 12, 2017
7MU8
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BU of 7mu8 by Molmil
Structure of the minimally glycosylated human CEACAM1 N-terminal domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Carcinoembryonic antigen-related cell adhesion molecule 1, GLYCEROL, ...
Authors:Belcher Dufrisne, M, Swope, N, Kieber, M, Yang, J.Y, Han, J, Li, J, Moremen, K.W, Prestegard, J.H, Columbus, L.
Deposit date:2021-05-14
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Human CEACAM1 N-domain dimerization is independent from glycan modifications.
Structure, 30, 2022
5TZE
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BU of 5tze by Molmil
Crystal structure of S. aureus TarS in complex with UDP-GlcNAc
Descriptor: Glycosyl transferase, MANGANESE (II) ION, SULFATE ION, ...
Authors:Worrall, L.J, Sobhanifar, S, King, D.T, Strynadka, N.C.
Deposit date:2016-11-21
Release date:2017-01-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure and Mechanism of Staphylococcus aureus TarS, the Wall Teichoic Acid beta-glycosyltransferase Involved in Methicillin Resistance.
PLoS Pathog., 12, 2016
6HEH
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BU of 6heh by Molmil
Structure of the catalytic domain of USP28 (insertion deleted)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Ubiquitin carboxyl-terminal hydrolase 28,Ubiquitin carboxyl-terminal hydrolase 28
Authors:Gersch, M, Komander, D.
Deposit date:2018-08-20
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Distinct USP25 and USP28 Oligomerization States Regulate Deubiquitinating Activity.
Mol.Cell, 74, 2019
6HEI
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BU of 6hei by Molmil
Structure of the catalytic domain of USP28 (insertion deleted) bound to Ubiquitin-PA
Descriptor: 1,2-ETHANEDIOL, Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 28,Ubiquitin carboxyl-terminal hydrolase 28
Authors:Gersch, M, Komander, D.
Deposit date:2018-08-20
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Distinct USP25 and USP28 Oligomerization States Regulate Deubiquitinating Activity.
Mol.Cell, 74, 2019
7MLN
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BU of 7mln by Molmil
Crystal structure of ricin A chain in complex with 5-(o-tolyl)thiophene-2-carboxylic acid
Descriptor: 5-(2-methylphenyl)thiophene-2-carboxylic acid, GLYCEROL, Ricin
Authors:Harijan, R.K, Li, X.P, Cao, B, Augeri, D, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L.
Deposit date:2021-04-28
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 64, 2021
6HEU
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BU of 6heu by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT058
Descriptor: 3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
Deposit date:2018-08-20
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.719 Å)
Cite:Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
6BPH
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BU of 6bph by Molmil
Crystal structure of the chromodomain of RBBP1
Descriptor: AT-rich interactive domain-containing protein 4A, UNKNOWN ATOM OR ION
Authors:Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-11-23
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of chromo barrel domain of RBBP1.
Biochem. Biophys. Res. Commun., 496, 2018
5U04
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BU of 5u04 by Molmil
Crystal structure of Zika virus NS5 RNA-dependent RNA polymerase
Descriptor: PHOSPHATE ION, ZINC ION, Zika Virus NS5 RdRp
Authors:Godoy, A.S, Lima, G.M.A, Oliveira, K.I.Z, Torres, N.U, Maluf, F.V, Guido, R.V.C, Oliva, G.
Deposit date:2016-11-22
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Zika virus NS5 RNA-dependent RNA polymerase.
Nat Commun, 8, 2017
5TVU
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BU of 5tvu by Molmil
Crystal structure of mitochondrial Hsp90 (TRAP1) with ATP in absence of Mg
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, TNF receptor-associated protein 1
Authors:Elnatan, D, Betegon, M, Agard, D.A.
Deposit date:2016-11-10
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Symmetry broken and rebroken during the ATP hydrolysis cycle of the mitochondrial Hsp90 TRAP1.
Elife, 6, 2017
5U0E
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BU of 5u0e by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5R)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one, 1,2-ETHANEDIOL, Carbonic anhydrase 2, ...
Authors:Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K.
Deposit date:2016-11-23
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
5TWE
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BU of 5twe by Molmil
CTX-M-14 P167S:S70G mutant enzyme crystallized with ceftazidime
Descriptor: ACYLATED CEFTAZIDIME, Beta-lactamase
Authors:Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T.
Deposit date:2016-11-12
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
6HE1
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BU of 6he1 by Molmil
Pseudomonas aeruginosa Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine
Descriptor: 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine, SODIUM ION, ...
Authors:Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
Deposit date:2018-08-20
Release date:2019-12-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
5U0N
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BU of 5u0n by Molmil
Crystal structure of a methyltransferase in complex with the substrate involved in the biosynthesis of gentamicin
Descriptor: (1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-xylopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside, MAGNESIUM ION, Putative gentamicin methyltransferase, ...
Authors:Bury, P, Huang, F, Li, S, Sun, Y, Leadlay, P, Dias, M.V.B.
Deposit date:2016-11-25
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.115 Å)
Cite:Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis.
ACS Chem. Biol., 12, 2017
6HFJ
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BU of 6hfj by Molmil
Human dihydroorotase mutant F1563A co-crystallized with carbamoyl aspartate at pH 7.5
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
Authors:Ramon-Maiques, S, Grande Garcia, A.
Deposit date:2018-08-21
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD.
J. Biol. Chem., 293, 2018
6BVE
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BU of 6bve by Molmil
Triosephosphate isomerase of Synechocystis in complex with 2-Phosphoglycolic acid
Descriptor: 2-PHOSPHOGLYCOLIC ACID, SODIUM ION, Triosephosphate isomerase
Authors:Jimenez-Sandoval, P, Castro-Torres, E, Brieba, L.G.
Deposit date:2017-12-12
Release date:2018-12-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Basis for the Limited Response to Oxidative and Thiol-Conjugating Agents by Triosephosphate Isomerase From the Photosynthetic BacteriaSynechocystis.
Front Mol Biosci, 5, 2018
7MLO
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BU of 7mlo by Molmil
Crystal structure of ricin A chain in complex with 5-mesitylthiophene-2-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid, Ricin, ...
Authors:Harijan, R.K, Li, X.P, Cao, B, Augeri, D, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L.
Deposit date:2021-04-28
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 64, 2021
7M6K
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BU of 7m6k by Molmil
Crystal structure of the ARM domain from Drosophila SARM1 in complex with VMN
Descriptor: 3-({[(4-nitrophenyl)carbamoyl]amino}methyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-1-ium, Isoform B of NAD(+) hydrolase sarm1, SODIUM ION
Authors:Gu, W, Luo, Z, Kobe, B.
Deposit date:2021-03-25
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Neurotoxin-mediated potent activation of the axon degeneration regulator SARM1.
Elife, 10, 2021
6HFS
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BU of 6hfs by Molmil
Human dihydroorotase mutant F1563Y co-crystallized with carbamoyl aspartate at pH 6.5
Descriptor: CAD protein, FORMIC ACID, N-CARBAMOYL-L-ASPARTATE, ...
Authors:Ramon-Maiques, S, Grande Garcia, A.
Deposit date:2018-08-21
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.34904516 Å)
Cite:Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD.
J. Biol. Chem., 293, 2018
6HEG
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BU of 6heg by Molmil
Crystal structure of Escherichia coli DEAH/RHA helicase HrpB
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase HrpB, PHOSPHATE ION, ...
Authors:Xin, B.G, Chen, W.F, Rety, S, Dai, Y.X, Xi, X.G.
Deposit date:2018-08-20
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.019 Å)
Cite:Crystal structure of Escherichia coli DEAH/RHA helicase HrpB.
Biochem. Biophys. Res. Commun., 504, 2018
6BVZ
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BU of 6bvz by Molmil
Importin alpha 3 in cargo free state
Descriptor: Importin subunit alpha-3
Authors:Smith, K.M, Tsimbalyuk, S, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K.
Deposit date:2017-12-14
Release date:2018-07-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses.
Nat Commun, 9, 2018
7M0Y
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BU of 7m0y by Molmil
Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Trametinib
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J.
Deposit date:2021-03-11
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
5GUI
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BU of 5gui by Molmil
Crystal structure of the N-terminal Domain of Caseinolytic protease associated chaperone ClpC1 from Arabidopsis thaliana
Descriptor: Chaperone protein ClpC1, chloroplastic, PHOSPHATE ION
Authors:Jagdev, M.K, Vasudevan, D.
Deposit date:2016-08-29
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structures reveal N-terminal Domain of Arabidopsis thaliana ClpD to be highly divergent from that of ClpC1.
Sci Rep, 7, 2017

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數據於2024-08-28公開中

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