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4O45
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BU of 4o45 by Molmil
WDR5 in complex with influenza NS1 C-terminal tail
Descriptor: Nonstructural protein 1, UNKNOWN ATOM OR ION, WD repeat-containing protein 5
Authors:Qin, S, Xu, C, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-18
Release date:2014-04-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1.
Nat Commun, 5, 2014
3BQO
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BU of 3bqo by Molmil
Crystal Structure of TRF1 TRFH domain and TIN2 peptide complex
Descriptor: TERF1-interacting nuclear factor 2, Telomeric repeat-binding factor 1
Authors:Chen, Y, Yang, Y, van Overbeek, M, Donigian, J.R, Baciu, P, de Lange, T, Lei, M.
Deposit date:2007-12-20
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:A shared docking motif in TRF1 and TRF2 used for differential recruitment of telomeric proteins.
Science, 319, 2008
2V3T
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BU of 2v3t by Molmil
Structure of the ligand-binding core of the ionotropic glutamate receptor-like GluRdelta2 in the apo form
Descriptor: CALCIUM ION, GLUTAMATE RECEPTOR DELTA-2 SUBUNIT SYNONYM GLURDELTA2, GLUR DELTA-2
Authors:Naur, P, Vestergaard, B, Gajhede, M, Kastrup, J.S.
Deposit date:2007-06-22
Release date:2007-08-07
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Ionotropic Glutamate-Like Receptor {Delta}2 Binds D-Serine and Glycine.
Proc.Natl.Acad.Sci.USA, 104, 2007
2VF9
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BU of 2vf9 by Molmil
Crystal structure of bacteriophage PRR1
Descriptor: CALCIUM ION, COAT PROTEIN
Authors:Persson, M, Tars, K, Liljas, L.
Deposit date:2007-11-01
Release date:2008-09-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The Capsid of the Small RNA Phage Prr1 is Stabilized by Metal Ions
J.Mol.Biol., 383, 2008
6FTG
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BU of 6ftg by Molmil
Subtomogram average of OST-containing ribosome-translocon complexes from canine rough microsomal membranes
Descriptor: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Pfeffer, S, Foerster, F.
Deposit date:2018-02-22
Release date:2018-03-21
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (9.1 Å)
Cite:Structural basis for coupling protein transport and N-glycosylation at the mammalian endoplasmic reticulum.
Science, 360, 2018
7VCU
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BU of 7vcu by Molmil
Human p97 double hexamer conformer I with D1-ATPgammaS and D2-ADP bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Gao, H, Li, F, Shi, Z, Li, Y, Yu, H.
Deposit date:2021-09-04
Release date:2022-03-02
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Cryo-EM structures of human p97 double hexamer capture potentiated ATPase-competent state.
Cell Discov, 8, 2022
4MD8
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BU of 4md8 by Molmil
Crystal Structure of full-length symmetric CK2 holoenzyme with mutated alpha subunit (F121E)
Descriptor: Casein kinase II subunit alpha, Casein kinase II subunit beta, ZINC ION
Authors:Lolli, G, Ranchio, A, Battistutta, R.
Deposit date:2013-08-22
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Active Form of the Protein Kinase CK2 alpha 2 beta 2 Holoenzyme Is a Strong Complex with Symmetric Architecture.
Acs Chem.Biol., 9, 2014
7VCT
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BU of 7vct by Molmil
Human p97 single hexamer conformer III with D1-ATPgammaS and D2-ADP bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Gao, H, Li, F, Shi, Z, Li, Y, Yu, H.
Deposit date:2021-09-04
Release date:2022-03-02
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Cryo-EM structures of human p97 double hexamer capture potentiated ATPase-competent state.
Cell Discov, 8, 2022
7VCX
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BU of 7vcx by Molmil
Human p97 single hexamer conformer II with ATPgammaS bound
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
Authors:Gao, H, Li, F, Shi, Z, Li, Y, Yu, H.
Deposit date:2021-09-04
Release date:2022-03-02
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Cryo-EM structures of human p97 double hexamer capture potentiated ATPase-competent state.
Cell Discov, 8, 2022
7VCV
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BU of 7vcv by Molmil
Human p97 single hexamer conformer I with ATPgammaS bound
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
Authors:Gao, H, Li, F, Shi, Z, Li, Y, Yu, H.
Deposit date:2021-09-04
Release date:2022-03-02
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Cryo-EM structures of human p97 double hexamer capture potentiated ATPase-competent state.
Cell Discov, 8, 2022
7VCS
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BU of 7vcs by Molmil
Human p97 double hexamer conformer II with ATPgammaS bound
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
Authors:Gao, H, Li, F, Shi, Z, Li, Y, Yu, H.
Deposit date:2021-09-03
Release date:2022-03-02
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Cryo-EM structures of human p97 double hexamer capture potentiated ATPase-competent state.
Cell Discov, 8, 2022
5V8I
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BU of 5v8i by Molmil
Thermus thermophilus 70S ribosome lacking ribosomal protein uS17
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Gregory, S.T, Jogl, G.
Deposit date:2017-03-22
Release date:2018-03-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structural robustness of the ribosome inferred from X-ray crystal structures of the 30S ribosomal subunit and the 70S ribosome lacking ribosomal protein uS17
To be published
2XP2
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BU of 2xp2 by Molmil
Structure of the Human Anaplastic Lymphoma Kinase in Complex with Crizotinib (PF-02341066)
Descriptor: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, TYROSINE-PROTEIN KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A, Timofeevski, S, Marrone, T, Cui, J.J.
Deposit date:2010-08-24
Release date:2010-09-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure Based Drug Design of Crizotinib (Pf-02341066), a Potent and Selective Dual Inhibitor of Mesenchymal-Epithelial Transition Factor (C-met) Kinase and Anaplastic Lymphoma Kinase (Alk).
J.Med.Chem, 54, 2011
8OOV
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BU of 8oov by Molmil
human NME-1 in complex with CoA
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A
Authors:Gouge, J, Hristov, H.D.
Deposit date:2023-04-06
Release date:2023-06-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Unique Mode of Coenzyme A Binding to the Nucleotide Binding Pocket of Human Metastasis Suppressor NME1.
Int J Mol Sci, 24, 2023
6TBL
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BU of 6tbl by Molmil
Crystal structure of MMS19(CTD)-CIAO1-CIAO2B CIA targeting complex
Descriptor: 1,2-ETHANEDIOL, MIP18 family protein galla-2, MMS19 nucleotide excision repair protein homolog, ...
Authors:Kassube, S.A, Thoma, N.H.
Deposit date:2019-11-01
Release date:2020-07-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural insights into Fe-S protein biogenesis by the CIA targeting complex.
Nat.Struct.Mol.Biol., 27, 2020
6TBN
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BU of 6tbn by Molmil
Crystal structure of CIAO1-CIAO2B CIA core complex
Descriptor: MIP18 family protein galla-2, Probable cytosolic iron-sulfur protein assembly protein Ciao1, SODIUM ION
Authors:Kassube, S.A, Thoma, N.H.
Deposit date:2019-11-01
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into Fe-S protein biogenesis by the CIA targeting complex.
Nat.Struct.Mol.Biol., 27, 2020
5UG8
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BU of 5ug8 by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
Descriptor: Epidermal growth factor receptor, GLYCEROL, N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide, ...
Authors:Gajiwala, K.S, Ferre, R.A.
Deposit date:2017-01-07
Release date:2017-03-22
Last modified:2017-04-26
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
5VUB
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BU of 5vub by Molmil
Pim1 Kinase in complex with a benzofuranone inhibitor
Descriptor: (2Z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Parker, L.J.
Deposit date:2017-05-18
Release date:2017-12-13
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach
J Chem Inf Model, 57, 2017
7KPF
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BU of 7kpf by Molmil
NME2 bound to myristoyl-CoA
Descriptor: GLYCEROL, MAGNESIUM ION, Nucleoside diphosphate kinase B, ...
Authors:Price, I.R, Lin, H.
Deposit date:2020-11-11
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:A Chemical Proteomic Approach reveals the regulation of NME1/2 and cancer metastasis by Long-Chain Fatty Acyl Coenzyme A
To Be Published
5VJI
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BU of 5vji by Molmil
Crystal structure of the CLOCK Transcription Domain Exon19 in Complex with a Repressor
Descriptor: CLOCK-interacting pacemaker, Circadian locomoter output cycles protein kaput
Authors:Hou, Z, Su, L, Pei, J, Grishin, N.V, Zhang, H.
Deposit date:2017-04-19
Release date:2017-06-07
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal Structure of the CLOCK Transactivation Domain Exon19 in Complex with a Repressor.
Structure, 25, 2017
2WPH
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BU of 2wph by Molmil
factor IXa superactive triple mutant
Descriptor: CALCIUM ION, COAGULATION FACTOR IXA HEAVY CHAIN, COAGULATION FACTOR IXA LIGHT CHAIN, ...
Authors:Zogg, T, Brandstetter, H.
Deposit date:2009-08-06
Release date:2009-12-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis of the Cofactor- and Substrate-Assisted Activation of Human Coagulation Factor Ixa
Structure, 17, 2009
6FTJ
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BU of 6ftj by Molmil
Cryo-EM Structure of the Mammalian Oligosaccharyltransferase Bound to Sec61 and the Non-programmed 80S Ribosome
Descriptor: 28S rRNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Braunger, K, Becker, T, Beckmann, R.
Deposit date:2018-02-22
Release date:2018-03-21
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structural basis for coupling protein transport and N-glycosylation at the mammalian endoplasmic reticulum.
Science, 360, 2018
2WV5
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BU of 2wv5 by Molmil
Crystal structure of foot-and-mouth disease virus 3C protease in complex with a decameric peptide corresponding to the VP1-2A cleavage junction with a GLN to Glu substitution at P1
Descriptor: FOOT AND MOUTH DISEASE VIRUS (SEROTYPE A) VARIANT VP1 CAPSID PROTEIN, PICORNAIN 3C
Authors:Zunszain, P.A, Knox, S.R, Sweeney, T.R, Yang, J, Roque-Rosell, N, Belsham, G.J, Leatherbarrow, R.J, Curry, S.
Deposit date:2009-10-13
Release date:2009-10-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Insights Into Cleavage Specificity from the Crystal Structure of Foot-and-Mouth Disease Virus 3C Protease Complexed with a Peptide Substrate.
J.Mol.Biol., 395, 2010
5VPP
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BU of 5vpp by Molmil
The 70S P-site tRNA SufA6 complex
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Hong, S, Sunita, S, Dunkle, J.A, Maehigashi, T, Dunham, C.M.
Deposit date:2017-05-05
Release date:2018-09-26
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Mechanism of tRNA-mediated +1 ribosomal frameshifting.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2YFX
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BU of 2yfx by Molmil
Structure of L1196M Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib
Descriptor: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, TYROSINE-PROTEIN KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A.
Deposit date:2011-04-08
Release date:2011-05-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014

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