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1LW2
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BU of 1lw2 by Molmil
CRYSTAL STRUCTURE OF T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 1051U91
Descriptor: 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION
Authors:Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K.
Deposit date:2002-05-30
Release date:2002-10-30
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
1LWF
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BU of 1lwf by Molmil
CRYSTAL STRUCTURE OF A MUTANT HIV-1 REVERSE TRANSCRIPTASE (RTMQ+M184V: M41L/D67N/K70R/M184V/T215Y) IN COMPLEX WITH NEVIRAPINE
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE
Authors:Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K.
Deposit date:2002-05-31
Release date:2002-10-30
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
1LW0
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BU of 1lw0 by Molmil
CRYSTAL STRUCTURE OF T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION
Authors:Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K.
Deposit date:2002-05-30
Release date:2002-10-30
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
5MHC
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BU of 5mhc by Molmil
Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, LYS-LEU-MET-PHE-LYS-TPO-GLU-GLY-PRO-ASP-SER-ASP, ...
Authors:Andrei, S, Ottmann, C, Leysen, S.
Deposit date:2016-11-24
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction.
FEBS Lett., 591, 2017
1OCP
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BU of 1ocp by Molmil
SOLUTION STRUCTURE OF OCT3 POU-HOMEODOMAIN
Descriptor: OCT-3
Authors:Morita, E.H, Hayashi, F, Shirakawa, M, Kyogoku, Y.
Deposit date:1995-02-21
Release date:1995-09-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the Oct-3 POU-Homeodomain in Solution, as Determined by Triple Resonance Heteronuclear Multidimensional NMR Spectroscopy
Protein Sci., 4, 1995
4JGH
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BU of 4jgh by Molmil
Structure of the SOCS2-Elongin BC complex bound to an N-terminal fragment of Cullin5
Descriptor: Cullin-5, Suppressor of cytokine signaling 2, Transcription elongation factor B polypeptide 1, ...
Authors:Kim, Y.K, Kwak, M.J, Ku, B, Suh, H.Y, Joo, K, Lee, J, Jung, J.U, Oh, B.H.
Deposit date:2013-03-01
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of intersubunit recognition in elongin BC-cullin 5-SOCS box ubiquitin-protein ligase complexes.
Acta Crystallogr.,Sect.D, 69, 2013
7N4K
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BU of 7n4k by Molmil
6218 TCR in complex with H2-Db PA 224
Descriptor: Beta-2-microglobulin, Fusion protein of T cell receptor alpha variable 21-DV12 and T-cell receptor, sp3.4 alpha chain, ...
Authors:Szeto, C, Gras, S.
Deposit date:2021-06-04
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Covalent TCR-peptide-MHC interactions induce T cell activation and redirect T cell fate in the thymus.
Nat Commun, 13, 2022
7N5P
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6218 TCR in complex with H2-Db PA224-233 with a cysteine mutant
Descriptor: Beta-2-microglobulin, Fusion protein of T cell receptor alpha variable 21-DV12 and T-cell receptor, sp3.4 alpha chain, ...
Authors:Szeto, C, Gras, S.
Deposit date:2021-06-06
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Covalent TCR-peptide-MHC interactions induce T cell activation and redirect T cell fate in the thymus.
Nat Commun, 13, 2022
7N5Q
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BU of 7n5q by Molmil
Peptide-MHC complex of mouse H2-Db presenting PA224 with E4C mutation
Descriptor: ACETATE ION, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
Authors:Szeto, C, Gras, S.
Deposit date:2021-06-06
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Covalent TCR-peptide-MHC interactions induce T cell activation and redirect T cell fate in the thymus.
Nat Commun, 13, 2022
6RFP
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BU of 6rfp by Molmil
ERK2 MAP kinase with mutations at Helix-G
Descriptor: Mitogen-activated protein kinase 1
Authors:Livnah, O, Eitan-Wexler, M.
Deposit date:2019-04-16
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The bacterial metalloprotease NleD selectively cleaves mitogen-activated protein kinases that have high flexibility in their activation loop.
J.Biol.Chem., 295, 2020
5T35
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BU of 5t35 by Molmil
The PROTAC MZ1 in complex with the second bromodomain of Brd4 and pVHL:ElonginC:ElonginB
Descriptor: (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Transcription elongation factor B polypeptide 1, ...
Authors:Gadd, M.S, Zengerle, M, Ciulli, A.
Deposit date:2016-08-24
Release date:2017-03-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of PROTAC cooperative recognition for selective protein degradation.
Nat. Chem. Biol., 13, 2017
7R1Y
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BU of 7r1y by Molmil
cryoEM structure of human Nup155 (residues 19-981)
Descriptor: Nuclear pore complex protein Nup155
Authors:Taniguchi, R, Beck, M.
Deposit date:2022-02-03
Release date:2022-06-08
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3 Å)
Cite:AI-based structure prediction empowers integrative structural analysis of human nuclear pores.
Science, 376, 2022
5HLY
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BU of 5hly by Molmil
Structure of Pro-Activin A Precursor at 2.3 A Resolution
Descriptor: CHLORIDE ION, Inhibin beta A chain
Authors:Wang, X, Fischer, G, Hyvonen, M.
Deposit date:2016-01-15
Release date:2016-07-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Structure and activation of pro-activin A.
Nat Commun, 7, 2016
3ZKJ
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BU of 3zkj by Molmil
Crystal Structure of Ankyrin Repeat and Socs Box-Containing Protein 9 (Asb9) in Complex with Elonginb and Elonginc
Descriptor: 1,2-ETHANEDIOL, ANKYRIN REPEAT AND SOCS BOX PROTEIN 9, CHLORIDE ION, ...
Authors:Muniz, J.R.C, Guo, K, Zhang, Y, Ayinampudi, V, Savitsky, P, Keates, T, Filippakopoulos, P, Vollmar, M, Yue, W.W, Krojer, T, Ugochukwu, E, von Delft, F, Knapp, S, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2013-01-23
Release date:2013-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Molecular Architecture of the Ankyrin Socs Box Family of Cul5-Dependent E3 Ubiquitin Ligases
J.Mol.Biol., 425, 2013
8OR0
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BU of 8or0 by Molmil
CAND1-CUL1-RBX1-SKP1-SKP2-CKS1-CDK2
Descriptor: Cullin-1, Cullin-associated NEDD8-dissociated protein 1, Cyclin-dependent kinase 2, ...
Authors:Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I.
Deposit date:2023-04-12
Release date:2023-06-28
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange.
Mol.Cell, 83, 2023
2L3Y
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BU of 2l3y by Molmil
Solution structure of mouse IL-6
Descriptor: Interleukin-6
Authors:Veverka, V, Redpath, N.T, Carrington, B, Muskett, F.W, Taylor, R.J, Henry, A.J, Carr, M.D.
Deposit date:2010-09-25
Release date:2011-09-28
Last modified:2013-01-02
Method:SOLUTION NMR
Cite:Conservation of functional sites on interleukin-6 and implications for evolution of signaling complex assembly and therapeutic intervention.
J.Biol.Chem., 287, 2012
4QJH
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BU of 4qjh by Molmil
Crystal Structure of the Twister Ribozyme with the Nucleotide 5'- to the Cleavage Site Ordered at 4.1 A Resolution
Descriptor: MAGNESIUM ION, Twister Ribozyme
Authors:Eiler, D.R, Wang, J, Steitz, T.A.
Deposit date:2014-06-03
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.88 Å)
Cite:Structural basis for the fast self-cleavage reaction catalyzed by the twister ribozyme.
Proc.Natl.Acad.Sci.USA, 111, 2014
6PA7
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BU of 6pa7 by Molmil
The cryo-EM structure of the human DNMT3A2-DNMT3B3 complex bound to nucleosome.
Descriptor: CHLORIDE ION, DNA (167-MER), DNA (cytosine-5)-methyltransferase 3A, ...
Authors:Xu, T.H, Liu, M, Zhou, X.E, Liang, G, Zhao, G, Xu, H.E, Melcher, K, Jones, P.A.
Deposit date:2019-06-11
Release date:2020-06-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structure of nucleosome-bound DNA methyltransferases DNMT3A and DNMT3B.
Nature, 586, 2020
5WOZ
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BU of 5woz by Molmil
NMR solution structure of Rtt103 (RTT) protein using two 4D-spectra
Descriptor: Regulator of Ty1 transposition protein 103
Authors:Evangelidis, T, Nerli, S, Sgourakis, N.G, Tripsianes, K.
Deposit date:2017-08-03
Release date:2018-02-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra.
Nat Commun, 9, 2018
3O96
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BU of 3o96 by Molmil
Crystal Structure of Human AKT1 with an Allosteric Inhibitor
Descriptor: 1-(1-(4-(7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one, RAC-alpha serine/threonine-protein kinase
Authors:Voegtli, W.C, Wu, W.-I, Lord-Ondash, H.A, Dizon, F.P, Vigers, G.P.A, Brandhuber, B.J.
Deposit date:2010-08-03
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of human AKT1 with an allosteric inhibitor reveals a new mode of kinase inhibition.
Plos One, 5, 2010
8QJR
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BU of 8qjr by Molmil
BRG1 bromodomain in complex with VBC via compound 17
Descriptor: (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, CHLORIDE ION, Elongin-B, ...
Authors:Kerry, P.S, Hole, A.J, Perez-Dorado, J.I.
Deposit date:2023-09-13
Release date:2024-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
8QJS
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BU of 8qjs by Molmil
VHL/Elongin B/Elongin C complex with compound 155
Descriptor: (2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Kerry, P.S, Hole, A.J, Perez-Dorado, J.I.
Deposit date:2023-09-13
Release date:2024-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.191 Å)
Cite:PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
8OR4
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BU of 8or4 by Molmil
Partially dissociated CAND1-CUL1-RBX1-SKP1-SKP2-CKS1-CDK2
Descriptor: Cullin-1, Cullin-associated NEDD8-dissociated protein 1, Cyclin-dependent kinase 2, ...
Authors:Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I.
Deposit date:2023-04-13
Release date:2023-06-28
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange.
Mol.Cell, 83, 2023
3HV4
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BU of 3hv4 by Molmil
Human p38 MAP Kinase in Complex with RL51
Descriptor: 1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ...
Authors:Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
Deposit date:2009-06-15
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Displacement assay for the detection of stabilizers of inactive kinase conformations.
J.Med.Chem., 53, 2010
6O6Q
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BU of 6o6q by Molmil
Crystal structure of Cka1p, a casein kinase 2 alpha ortholog from Candida albicans
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Casein kinase 2 catalytic subunit, ...
Authors:Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-03-07
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of Cka1p, a casein kinase 2 alpha ortholog from Candida albicans
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