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6BN7
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BU of 6bn7 by Molmil
Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET23 PROTAC.
Descriptor: Bromodomain-containing protein 4, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S.
Deposit date:2017-11-16
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.501 Å)
Cite:Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
3ZJY
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BU of 3zjy by Molmil
Crystal Structure of Importin 13 - RanGTP - eIF1A complex
Descriptor: EUKARYOTIC TRANSLATION INITIATION FACTOR 1A, X-CHROMOSOMAL, GTP-BINDING NUCLEAR PROTEIN RAN, ...
Authors:Gruenwald, M, Lazzaretti, D, Bono, F.
Deposit date:2013-01-21
Release date:2013-04-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural Basis for the Nuclear Export Activity of Importin13.
Embo J., 32, 2013
6BP0
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BU of 6bp0 by Molmil
Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor
Descriptor: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Counago, R.M, dos Reis, C.V, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J, Structural Genomics Consortium (SGC)
Deposit date:2017-11-21
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor
To Be Published
6BRU
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BU of 6bru by Molmil
Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor
Descriptor: (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, SULFATE ION, ...
Authors:Counago, R.M, dos Reis, C.V, de Souza, G.P, Aquino, B, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
Deposit date:2017-12-01
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor
To Be Published
6IMQ
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BU of 6imq by Molmil
Crystal structure of PML B1-box multimers
Descriptor: CHLORIDE ION, Protein PML, ZINC ION
Authors:Li, Y, Ma, X, Chen, Z, Wu, H, Wang, P, Wu, W, Cheng, N, Zeng, L, Zhang, H, Cai, X, Chen, S.J, Chen, Z, Meng, G.
Deposit date:2018-10-23
Release date:2019-07-31
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:B1 oligomerization regulates PML nuclear body biogenesis and leukemogenesis.
Nat Commun, 10, 2019
3ZMV
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BU of 3zmv by Molmil
LSD1-CoREST in complex with PLSFLV peptide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, PKSFLV PEPTIDE, ...
Authors:Tortorici, M, Borrello, M.T, Tardugno, M, Chiarelli, L.R, Pilotto, S, Ciossani, G, Vellore, N.A, Cowan, J, O'Connell, M, Mai, A, Baron, R, Ganesan, A, Mattevi, A.
Deposit date:2013-02-12
Release date:2013-06-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase.
Acs Chem.Biol., 8, 2013
6ZM7
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BU of 6zm7 by Molmil
SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
Deposit date:2020-07-01
Release date:2020-07-29
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
6F6Z
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BU of 6f6z by Molmil
Mouse Thymidylate Synthase Cocrystallized with N(4)OHdCMP and Soaked in Methylenetetrahydrofolate
Descriptor: (2~{S})-2-[[4-[[(6~{R})-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid, 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), Thymidylate synthase
Authors:Wilk, P, Jarmula, A, Maj, P, Rode, W.
Deposit date:2017-12-06
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.127 Å)
Cite:Molecular Mechanism of Thymidylate Synthase Inhibition by N4-Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies
Int J Mol Sci, 22, 2021
8JMX
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BU of 8jmx by Molmil
The crystal structure of human aurka kinase domain in complex with AURKA-A2
Descriptor: 5-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde, Aurora kinase A
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2023-06-05
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.95020175 Å)
Cite:Multitarget inhibitors/probes that target LRRK2 and AURORA A kinases noncovalently and covalently.
Chem.Commun.(Camb.), 59, 2023
6C2T
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BU of 6c2t by Molmil
Aurora A ligand complex
Descriptor: (2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid, Aurora kinase A, DIMETHYL SULFOXIDE, ...
Authors:Antonysamy, S, Pustilnik, A, Manglicmot, D, Froning, K, Weichert, K, Wasserman, S.
Deposit date:2018-01-08
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene.
Cancer Discov, 9, 2019
8JUW
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BU of 8juw by Molmil
Human ATAD2 Walker B mutant-H3/H4K5Q complex, ATP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATPase family AAA domain-containing protein 2
Authors:Cho, C, Song, J.
Deposit date:2023-06-27
Release date:2023-10-18
Method:ELECTRON MICROSCOPY (3.79 Å)
Cite:Structure of the human ATAD2 AAA+ histone chaperone reveals mechanism of regulation and inter-subunit communication.
Commun Biol, 6, 2023
6IRT
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BU of 6irt by Molmil
human LAT1-4F2hc complex bound with BCH
Descriptor: (1S,2S,4R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, R.H, Zhao, X, Lei, J.L, Zhou, Q.
Deposit date:2018-11-14
Release date:2019-03-27
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the human LAT1-4F2hc heteromeric amino acid transporter complex.
Nature, 568, 2019
7D43
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BU of 7d43 by Molmil
eIF2B-eIF2(aP), aPg complex
Descriptor: Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 2, Eukaryotic translation initiation factor 2 subunit 3, ...
Authors:Kashiwagi, K, Ito, T.
Deposit date:2020-09-22
Release date:2020-12-09
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:ISRIB Blunts the Integrated Stress Response by Allosterically Antagonising the Inhibitory Effect of Phosphorylated eIF2 on eIF2B.
Mol.Cell, 81, 2021
8JUZ
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BU of 8juz by Molmil
Human ATAD2 Walker B mutant-H3/H4K5Q complex, ATP state (Class III)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATPase family AAA domain-containing protein 2
Authors:Cho, C, Song, J.
Deposit date:2023-06-27
Release date:2023-10-18
Method:ELECTRON MICROSCOPY (4.29 Å)
Cite:Structure of the human ATAD2 AAA+ histone chaperone reveals mechanism of regulation and inter-subunit communication.
Commun Biol, 6, 2023
7CYU
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BU of 7cyu by Molmil
Crystal structure of human BAF57 HMG domain
Descriptor: SULFATE ION, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily E member 1
Authors:Heo, Y, Yun, J.H, Park, J.H, Lee, W.
Deposit date:2020-09-04
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of the HMG domain of human BAF57 and its interaction with four-way junction DNA.
Biochem.Biophys.Res.Commun., 533, 2020
8JUY
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BU of 8juy by Molmil
Human ATAD2 Walker B mutant-H3/H4K5Q complex, ATP state (Class II)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATPase family AAA domain-containing protein 2
Authors:Cho, C, Song, J.
Deposit date:2023-06-27
Release date:2023-10-18
Method:ELECTRON MICROSCOPY (4.34 Å)
Cite:Structure of the human ATAD2 AAA+ histone chaperone reveals mechanism of regulation and inter-subunit communication.
Commun Biol, 6, 2023
6FBP
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BU of 6fbp by Molmil
Human Methionine Adenosyltransferase II mutant (S114A) in P22121 crystal form
Descriptor: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Panmanee, J, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2017-12-19
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds.
Febs J., 286, 2019
6ZNM
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BU of 6znm by Molmil
The pointed end complex of dynactin bound to BICDR1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ARP1 actin related protein 1 homolog A, ...
Authors:Lau, C.K, Lacey, S.E, Carter, A.P.
Deposit date:2020-07-06
Release date:2020-07-29
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM reveals the complex architecture of dynactin's shoulder region and pointed end.
Embo J., 40, 2021
6BTA
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BU of 6bta by Molmil
CypA Mutant - S99T C115S
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Fraser, J.S, Kenner, L.R, Liu, L.
Deposit date:2017-12-06
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rescue of conformational dynamics in enzyme catalysis by directed evolution.
Nat Commun, 9, 2018
6BRG
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BU of 6brg by Molmil
The SAM domain of mouse SAMHD1 is critical for its activation and regulation
Descriptor: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION
Authors:Buzovetsky, O, Tang, C, Knecht, K.M, Antonucci, J.M, Wu, L, Ji, X, Xiong, Y.
Deposit date:2017-11-30
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The SAM domain of mouse SAMHD1 is critical for its activation and regulation.
Nat Commun, 9, 2018
6BW3
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BU of 6bw3 by Molmil
Crystal structure of RBBP4 in complex with PRDM3 N-terminal peptide
Descriptor: Histone-binding protein RBBP4, MDS1 and EVI1 complex locus protein MDS1, UNKNOWN ATOM OR ION
Authors:Ivanochko, D, Halabelian, L, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2017-12-14
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Direct interaction between the PRDM3 and PRDM16 tumor suppressors and the NuRD chromatin remodeling complex.
Nucleic Acids Res., 47, 2019
6FCM
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BU of 6fcm by Molmil
Crystal structure of human PCNA
Descriptor: Proliferating cell nuclear antigen
Authors:Housset, D, Frachet, P.
Deposit date:2017-12-20
Release date:2019-01-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cytosolic PCNA interacts with p47phox and controls NADPH oxidase NOX2 activation in neutrophils.
J.Exp.Med., 216, 2019
2IE6
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BU of 2ie6 by Molmil
Annexin V under 2.0 MPa pressure of xenon
Descriptor: Annexin A5, CALCIUM ION, SULFATE ION, ...
Authors:Colloc'h, N, Sopkova-de Oliveira Santos, J, Prange, T, Brisson, A, Langlois d'Estainto, B, Gallois, B.
Deposit date:2006-09-18
Release date:2007-02-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Protein Crystallography under Xenon and Nitrous Oxide Pressure: Comparison with In Vivo Pharmacology Studies and Implications for the Mechanism of Inhaled Anesthetic Action
Biophys.J., 92, 2007
3ZYK
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BU of 3zyk by Molmil
Structure of CALM (PICALM) ANTH domain
Descriptor: PHOSPHATIDYLINOSITOL-BINDING CLATHRIN ASSEMBLY PROTEIN
Authors:Miller, S.E, Sahlender, D.A, Graham, S.C, Honing, S, Robinson, M.S, Peden, A.A, Owen, D.J.
Deposit date:2011-08-23
Release date:2011-12-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The molecular basis for the endocytosis of small R-SNAREs by the clathrin adaptor CALM.
Cell, 147, 2011
6FAP
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BU of 6fap by Molmil
Crystal structure of human BAZ2A PHD zinc finger in complex with Fr23
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, PHOSPHATE ION, ...
Authors:Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
Deposit date:2017-12-16
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018

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