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6H9B
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BU of 6h9b by Molmil
1,1-Diheterocyclic Ethylenes Derived from Quinaldine and Carbazole as New Tubulin Polymerization Inhibitors: Synthesis, Metabolism, and Biological Evaluation
Descriptor: 9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Varela, P.F, Gigant, B.
Deposit date:2018-08-03
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:1,1-Diheterocyclic Ethylenes Derived from Quinaldine and Carbazole as New Tubulin-Polymerization Inhibitors: Synthesis, Metabolism, and Biological Evaluation.
J. Med. Chem., 62, 2019
8DFU
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BU of 8dfu by Molmil
Cryo-EM structure of conjugation pili from Aeropyrum pernix
Descriptor: (2S)-3-{[(3R,7S,11S,15S)-3,7,11,15,19-pentamethylicosyl]oxy}-2-{[(2R,6S,10S,14R)-2,6,10,14,18-pentamethylnonadecyl]oxy}propyl dihydrogen phosphate, Pilin protein
Authors:Beltran, L.C, Egelman, E.H.
Deposit date:2022-06-22
Release date:2023-03-22
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Archaeal DNA-import apparatus is homologous to bacterial conjugation machinery.
Nat Commun, 14, 2023
8DFT
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BU of 8dft by Molmil
Cryo-EM structure of conjugative pili from Pyrobaculum calidifontis
Descriptor: Pilin protein, [(2~{S},7~{S},11~{S},15~{S},19~{R},22~{R},26~{S},30~{R},34~{R},38~{S},43~{S},47~{S},51~{S},55~{R},58~{R},62~{S},66~{R},70~{R})-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol
Authors:Beltran, L.C, Egelman, E.H.
Deposit date:2022-06-22
Release date:2023-03-22
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Archaeal DNA-import apparatus is homologous to bacterial conjugation machinery.
Nat Commun, 14, 2023
2W96
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BU of 2w96 by Molmil
Crystal Structure of CDK4 in complex with a D-type cyclin
Descriptor: CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1, GLYCEROL
Authors:Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H.
Deposit date:2009-01-21
Release date:2009-03-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin.
Proc.Natl.Acad.Sci.USA, 106, 2009
8DFM
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BU of 8dfm by Molmil
Ectodomain of full-length wild-type KIT-SCF dimers
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Mast/stem cell growth factor receptor Kit, ...
Authors:Krimmer, S.G, Bertoletti, N, Mi, W, Schlessinger, J.
Deposit date:2022-06-22
Release date:2023-03-29
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Cryo-EM analyses of KIT and oncogenic mutants reveal structural oncogenic plasticity and a target for therapeutic intervention.
Proc.Natl.Acad.Sci.USA, 120, 2023
6HHF
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BU of 6hhf by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor Borussertib
Descriptor: Borussertib, RAC-alpha serine/threonine-protein kinase
Authors:Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D.
Deposit date:2018-08-28
Release date:2019-03-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib inKRAS-Mutant Pancreatic and Colorectal Cancer.
Cancer Res., 79, 2019
8DFQ
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BU of 8dfq by Molmil
Ectodomain of full-length KIT(T417I,delta418-419)-SCF dimers
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Mast/stem cell growth factor receptor Kit, ...
Authors:Krimmer, S.G, Bertoletti, N, Mi, W, Schlessinger, J.
Deposit date:2022-06-22
Release date:2023-03-29
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Cryo-EM analyses of KIT and oncogenic mutants reveal structural oncogenic plasticity and a target for therapeutic intervention.
Proc.Natl.Acad.Sci.USA, 120, 2023
5UZ4
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BU of 5uz4 by Molmil
The cryo-EM structure of YjeQ bound to the 30S subunit suggests a fidelity checkpoint function for this protein in ribosome assembly
Descriptor: 16S RIBOSOMAL RNA, 3'-O-(N-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate, 30S ribosomal protein S10, ...
Authors:Razi, A, Guarne, A, Ortega, J.
Deposit date:2017-02-24
Release date:2017-04-19
Last modified:2020-01-15
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:The cryo-EM structure of YjeQ bound to the 30S subunit suggests a fidelity checkpoint function for this protein in ribosome assembly.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5V61
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BU of 5v61 by Molmil
Phospho-ERK2 bound to bivalent inhibitor SBP2
Descriptor: 2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid, 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, GLYCEROL, ...
Authors:Lechtenberg, B.C, Riedl, S.J.
Deposit date:2017-03-15
Release date:2017-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors.
ACS Med Chem Lett, 8, 2017
5V19
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BU of 5v19 by Molmil
Structure-based drug design of novel ASK1 inhibitors using a fully integrated lead optimization strategy
Descriptor: Mitogen-activated protein kinase kinase kinase 5, N-(1-ethyl-1H-pyrazol-4-yl)furan-3-carboxamide
Authors:Dougan, D.R, Lawson, J.D, Lane, W.
Deposit date:2017-03-01
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-based drug design of novel ASK1 inhibitors using an integrated lead optimization strategy.
Bioorg. Med. Chem. Lett., 27, 2017
5V8F
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BU of 5v8f by Molmil
Structural basis of MCM2-7 replicative helicase loading by ORC-Cdc6 and Cdt1
Descriptor: Cell division control protein 6, Cell division cycle protein CDT1, DNA (39-MER), ...
Authors:Yuan, Z, Riera, A, Bai, L, Sun, J, Spanos, C, Chen, Z.A, Barbon, M, Rappsilber, J, Stillman, B, Speck, C, Li, H.
Deposit date:2017-03-21
Release date:2017-05-10
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of Mcm2-7 replicative helicase loading by ORC-Cdc6 and Cdt1.
Nat. Struct. Mol. Biol., 24, 2017
2VPO
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BU of 2vpo by Molmil
High resolution structure of the periplasmic binding protein TeaA from TeaABC TRAP transporter of Halomonas elongata in complex with hydroxyectoine
Descriptor: (4S,5S)-5-HYDROXY-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, MAGNESIUM ION, PERIPLASMIC SUBSTRATE BINDING PROTEIN
Authors:Kuhlmann, S.I, Terwisscha van Scheltinga, A.C, Bienert, R, Kunte, H.J, Ziegler, C.
Deposit date:2008-03-03
Release date:2008-08-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:1.55 A Structure of the Ectoine Binding Protein Teaa of the Osmoregulated Trap-Transporter Teaabc from Halomonas Elongata.
Biochemistry, 47, 2008
2W8M
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BU of 2w8m by Molmil
Structure of D212, a nuclease from a fusselovirus.
Descriptor: ORF D212
Authors:Menon, S.K, Young, M.J, Lawrence, C.M.
Deposit date:2009-01-17
Release date:2009-02-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of D212 from sulfolobus spindle-shaped virus ragged hills reveals a new member of the PD-(D/E)XK nuclease superfamily.
J. Virol., 84, 2010
2V9V
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BU of 2v9v by Molmil
Crystal Structure of Moorella thermoacetica SelB(377-511)
Descriptor: CHLORIDE ION, SELENOCYSTEINE-SPECIFIC ELONGATION FACTOR, SODIUM ION
Authors:Ganichkin, O, Wahl, M.C.
Deposit date:2007-08-27
Release date:2007-09-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Conformational Switches in Winged-Helix Domains 1 and 2 of Bacterial Translation Elongation Factor Selb.
Acta Crystallogr.,Sect.D, 63, 2007
6HMO
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BU of 6hmo by Molmil
Solution structure of the RNA duplex formed by the 5'-end of U1snRNA and the 5'-splice site of SMN2 exon7 in complex with the SMN-C5 splicing modifier
Descriptor: 2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one, RNA (5'-R(*AP*UP*AP*CP*(PSU)P*(PSU)P*AP*CP*CP*UP*G)-3'), RNA (5'-R(*GP*GP*AP*GP*UP*AP*AP*GP*UP*CP*U)-3')
Authors:Campagne, S, Allain, F.H.
Deposit date:2018-09-12
Release date:2019-08-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of a small molecule targeting RNA for a specific splicing correction.
Nat.Chem.Biol., 15, 2019
2VJD
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BU of 2vjd by Molmil
Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset C at 150K
Descriptor: (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
Authors:Colletier, J.P, Bourgeois, D, Fournier, D, Silman, I, Sussman, J.L, Weik, M.
Deposit date:2007-12-09
Release date:2008-07-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Shoot-and-Trap: Use of Specific X-Ray Damage to Study Structural Protein Dynamics by Temperature-Controlled Cryo-Crystallography.
Proc.Natl.Acad.Sci.USA, 105, 2008
5VVK
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BU of 5vvk by Molmil
Cas1-Cas2 bound to full-site mimic
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (5'-D(*GP*AP*CP*CP*AP*CP*CP*AP*GP*TP*G)-3'), ...
Authors:Wright, A.V, Knott, G.J, Doxzen, K.D, Doudna, J.A.
Deposit date:2017-05-19
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of the CRISPR genome integration complex.
Science, 357, 2017
5VVJ
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BU of 5vvj by Molmil
Cas1-Cas2 bound to half-site intermediate
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (112-MER), ...
Authors:Wright, A.V, Knott, G.J, Doxzen, K.W, Doudna, J.A.
Deposit date:2017-05-19
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.89 Å)
Cite:Structures of the CRISPR genome integration complex.
Science, 357, 2017
2V96
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BU of 2v96 by Molmil
Structure of the unphotolysed complex of TcAChE with 1-(2- nitrophenyl)-2,2,2-trifluoroethyl-arsenocholine at 100K
Descriptor: 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE
Authors:Colletier, J.-P, Sanson, B, Royant, A, Specht, A, Nachon, F, Masson, P, Zaccai, G, Sussman, J.L, Goeldner, M, Silman, I, Bourgeois, D, Weik, M.
Deposit date:2007-08-22
Release date:2007-11-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Use of a 'Caged' Analog to Study Traffic of Choline within Acetylcholinesterase by Kinetic Crystallography
Acta Crystallogr.,Sect.D, 63, 2007
5VYU
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BU of 5vyu by Molmil
Crystal structure of the WbkC N-formyltransferase from Brucella melitensis in complex with GDP-perosaminea and N-10-formyltetrahydrofolate
Descriptor: GDP-perosamine, GUANOSINE-5'-DIPHOSPHATE, Gdp-mannose 4,6-dehydratase / gdp-4-amino-4,6-dideoxy-d-mannose formyltransferase, ...
Authors:Riegert, A.S, Chantigian, D.P, Thoden, J.B, Holden, H.M.
Deposit date:2017-05-26
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Biochemical Characterization of WbkC, an N-Formyltransferase from Brucella melitensis.
Biochemistry, 56, 2017
5W0G
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BU of 5w0g by Molmil
Structure of U2AF65 (U2AF2) RRM1 at 1.07 resolution
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ACETATE ION, Splicing factor U2AF 65 kDa subunit, ...
Authors:Agrawal, A.A, Jenkins, J.L, Kielkopf, C.L.
Deposit date:2017-05-30
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Cancer-Associated Mutations Mapped on High-Resolution Structures of the U2AF2 RNA Recognition Motifs.
Biochemistry, 56, 2017
2VJA
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BU of 2vja by Molmil
Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset A at 100K
Descriptor: (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
Authors:Colletier, J.P, Bourgeois, D, Fournier, D, Silman, I, Sussman, J.L, Weik, M.
Deposit date:2007-12-09
Release date:2008-07-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Shoot-and-Trap: Use of Specific X-Ray Damage to Study Structural Protein Dynamics by Temperature-Controlled Cryo-Crystallography.
Proc.Natl.Acad.Sci.USA, 105, 2008
5W35
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BU of 5w35 by Molmil
Crystal structure of the RNA polymerase domain (RPD) of Mycobacterium tuberculosis primase DnaG in complex with a double-stranded DNA oligomer with a 1-nucleotide overhang
Descriptor: DNA primase, synthetic DNA oligomer 5'-CCACTTCCGGTC, synthetic DNA oligomer 5'-TGACCGGAAGTGG
Authors:Hou, C, Tsodikov, O.V.
Deposit date:2017-06-07
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Structures of the Catalytic Domain of Bacterial Primase DnaG in Complexes with DNA Provide Insight into Key Priming Events.
Biochemistry, 57, 2018
5W6O
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BU of 5w6o by Molmil
Choline Kinase Alpha in Complex with TCD-717
Descriptor: 1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kall, S.K, Lavie, A.
Deposit date:2017-06-16
Release date:2018-02-14
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Identification of a Unique Inhibitor-Binding Site on Choline Kinase alpha.
Biochemistry, 57, 2018
5VYR
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BU of 5vyr by Molmil
Crystal structure of the WbkC formyl transferase from Brucella melitensis
Descriptor: (6R)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Riegert, A.S, Chantigian, D.P, Thoden, J.B, Holden, H.M.
Deposit date:2017-05-26
Release date:2017-07-05
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical Characterization of WbkC, an N-Formyltransferase from Brucella melitensis.
Biochemistry, 56, 2017

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