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3PZE
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BU of 3pze by Molmil
JNK1 in complex with inhibitor
Descriptor: 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide, Mitogen-activated protein kinase 8, SULFATE ION
Authors:Xue, Y.
Deposit date:2010-12-14
Release date:2011-12-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide (AZD7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
4A90
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BU of 4a90 by Molmil
Crystal structure of mouse SAP18 residues 1-143
Descriptor: GLYCEROL, HISTONE DEACETYLASE COMPLEX SUBUNIT SAP18
Authors:Murachelli, A.G, Ebert, J, Basquin, C, Le Hir, H, Conti, E.
Deposit date:2011-11-22
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Structure of the Asap Core Complex Reveals the Existence of a Pinin-Containing Psap Complex
Nat.Struct.Mol.Biol., 19, 2012
5XUP
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BU of 5xup by Molmil
Crystal structure of TRF1 and TERB1
Descriptor: Telomere repeats-binding bouquet formation protein 1, Telomeric repeat-binding factor 1
Authors:Long, J, Huang, C, Wu, J, Lei, M.
Deposit date:2017-06-24
Release date:2017-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Telomeric TERB1-TRF1 interaction is crucial for male meiosis.
Nat. Struct. Mol. Biol., 24, 2017
5XPI
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BU of 5xpi by Molmil
Structure of UHRF1 TTD in complex with NV01
Descriptor: E3 ubiquitin-protein ligase UHRF1, N-[3-(diethylamino)propyl]-2-(12-methyl-9-oxidanylidene-5-thia-1,10,11-triazatricyclo[6.4.0.0^2,6]dodeca-2(6),3,7,11-tetraen-10-yl)ethanamide
Authors:Luo, X, Zhao, K.
Deposit date:2017-06-02
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Small-Molecule Antagonists of the H3K9me3 Binding to UHRF1 Tandem Tudor Domain
SLAS Discov, 23, 2018
3ZZQ
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BU of 3zzq by Molmil
Engineered 12-subunit Bacillus subtilis trp RNA-binding attenuation protein (TRAP)
Descriptor: TRANSCRIPTION ATTENUATION PROTEIN MTRB, TRYPTOPHAN
Authors:Chen, C, Smits, C, Dodson, G.G, Shevtsov, M.B, Merlino, N, Gollnick, P, Antson, A.A.
Deposit date:2011-09-02
Release date:2011-10-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:How to Change the Oligomeric State of a Circular Protein Assembly: Switch from 11-Subunit to 12-Subunit Trap Suggests a General Mechanism
Plos One, 6, 2011
5UBP
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BU of 5ubp by Molmil
TREX2 M-region
Descriptor: 26S proteasome complex subunit SEM1, Leucine permease transcriptional regulator, Nuclear mRNA export protein THP1
Authors:Stewart, M, Gordon, J.
Deposit date:2016-12-21
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the Sac3 RNA-binding M-region in the Saccharomyces cerevisiae TREX-2 complex.
Nucleic Acids Res., 45, 2017
3PO9
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BU of 3po9 by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with tripropyltin
Descriptor: 1-[chloro(dipropyl)-lambda~4~-sulfanyl]propane, Peroxisome proliferator-activated receptor gamma, S-1,2-PROPANEDIOL
Authors:le Maire, A, Bourguet, W.
Deposit date:2010-11-22
Release date:2011-11-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of PPARgamma ligand binding domain in complex with tripropyltin
To be Published
6R3P
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BU of 6r3p by Molmil
Crystal structure of human DMC1 ATPase domain
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, ...
Authors:Dunce, J.M, Davies, O.R.
Deposit date:2019-03-20
Release date:2019-04-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of human DMC1 ATPase domain
To Be Published
5UMK
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BU of 5umk by Molmil
Crystal structure of H62Y mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2017-01-27
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
1S72
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BU of 1s72 by Molmil
REFINED CRYSTAL STRUCTURE OF THE HALOARCULA MARISMORTUI LARGE RIBOSOMAL SUBUNIT AT 2.4 ANGSTROM RESOLUTION
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L10e, 50S ribosomal protein L11P, ...
Authors:Klein, D.J, Schmeing, T.M, Moore, P.B, Steitz, T.A.
Deposit date:2004-01-28
Release date:2004-06-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Roles of Ribosomal Proteins in the Structure, Assembly and Evolution of the Large Ribosomal Subunit
J.Mol.Biol., 340, 2004
5UMJ
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BU of 5umj by Molmil
Crystal structure of H62A mutant of human macrophage migration inhibitory factor
Descriptor: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION
Authors:Pantouris, G, Lolis, E.
Deposit date:2017-01-27
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
4A6Q
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BU of 4a6q by Molmil
Crystal structure of mouse SAP18 residues 6-143
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, HISTONE DEACETYLASE COMPLEX SUBUNIT SAP18, ISOPROPYL ALCOHOL
Authors:Murachelli, A.G, Ebert, J, Basquin, C, Le Hir, H, Conti, E.
Deposit date:2011-11-08
Release date:2012-03-07
Last modified:2015-03-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Structure of the Asap Core Complex Reveals the Existence of a Pinin-Containing Psap Complex
Nat.Struct.Mol.Biol., 19, 2012
6FKR
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BU of 6fkr by Molmil
Crystal structure of the dolphin proline-rich antimicrobial peptide Tur1A bound to the Thermus thermophilus 70S ribosome
Descriptor: 16 ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Mardirossian, M, Perebaskine, N, Benincasa, M, Gambato, S, Hofmann, S, Huter, P, Muller, C, Hilpert, K, Innis, C.A, Tossi, A, Wilson, D.N.
Deposit date:2018-01-24
Release date:2018-03-28
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Dolphin Proline-Rich Antimicrobial Peptide Tur1A Inhibits Protein Synthesis by Targeting the Bacterial Ribosome.
Cell Chem Biol, 25, 2018
1EBO
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BU of 1ebo by Molmil
CRYSTAL STRUCTURE OF THE EBOLA VIRUS MEMBRANE-FUSION SUBUNIT, GP2, FROM THE ENVELOPE GLYCOPROTEIN ECTODOMAIN
Descriptor: CHLORIDE ION, EBOLA VIRUS ENVELOPE PROTEIN CHIMERA CONSISTING OF A FRAGMENT OF GCN4 ZIPPER CLONED N-TERMINAL TO A FRAGMENT OF GP2, ZINC ION
Authors:Weissenhorn, W, Carfi, A, Lee, K.H, Skehel, J.J, Wiley, D.C.
Deposit date:1998-11-03
Release date:1999-07-02
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of the Ebola virus membrane fusion subunit, GP2, from the envelope glycoprotein ectodomain.
Mol.Cell, 2, 1998
6DV2
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BU of 6dv2 by Molmil
Crystal Structure of Human Mitochondrial Trifunctional Protein
Descriptor: Trifunctional enzyme subunit alpha, mitochondrial, Trifunctional enzyme subunit beta
Authors:Fu, Z, Xia, C, Battaile, K.P, Kim, J.P.
Deposit date:2018-06-22
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Crystal structure of human mitochondrial trifunctional protein, a fatty acid beta-oxidation metabolon.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5UZY
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BU of 5uzy by Molmil
Crystal structure of N97A mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2017-02-27
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74.
Angew. Chem. Int. Ed. Engl., 57, 2018
5JUS
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BU of 5jus by Molmil
Saccharomyces cerevisiae 80S ribosome bound with elongation factor eEF2-GDP-sordarin and Taura Syndrome Virus IRES, Structure III (mid-rotated 40S subunit)
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 5.8S ribosomal RNA, ...
Authors:Abeyrathne, P, Koh, C.S, Grant, T, Grigorieff, N, Korostelev, A.A.
Deposit date:2016-05-10
Release date:2016-10-05
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Ensemble cryo-EM uncovers inchworm-like translocation of a viral IRES through the ribosome.
Elife, 5, 2016
3QYZ
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BU of 3qyz by Molmil
Crystal structure of ERK2 in complex with an inhibitor
Descriptor: 5'-azido-8-bromo-5'-deoxyadenosine, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
Authors:Gelin, M, Pochet, S, Hoh, F, Pirochi, M, Guichou, J.-F, Ferrer, J.-L, Labesse, G.
Deposit date:2011-03-04
Release date:2011-08-24
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:In-plate protein crystallization, in situ ligand soaking and X-ray diffraction.
Acta Crystallogr.,Sect.D, 67, 2011
5YTQ
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BU of 5ytq by Molmil
Crystal Structure of TTHA0139 L34A with Lanthanum from Thermus thermophilus HB8
Descriptor: LANTHANUM (III) ION, TTHA0139
Authors:Takao, K, Inoue, M, Fukui, K, Yano, T, Masui, R.
Deposit date:2017-11-19
Release date:2018-11-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Crystal Structure of TTHA0139 L34A with Lanthanum from Thermus thermophilus HB8
To Be Published
5JUP
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BU of 5jup by Molmil
Saccharomyces cerevisiae 80S ribosome bound with elongation factor eEF2-GDP-sordarin and Taura Syndrome Virus IRES, Structure II (mid-rotated 40S subunit)
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 5.8S ribosomal RNA, ...
Authors:Abeyrathne, P, Koh, C.S, Grant, T, Grigorieff, N, Korostelev, A.A.
Deposit date:2016-05-10
Release date:2016-10-05
Last modified:2019-11-27
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Ensemble cryo-EM uncovers inchworm-like translocation of a viral IRES through the ribosome.
Elife, 5, 2016
3ZZS
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BU of 3zzs by Molmil
Engineered 12-subunit Bacillus stearothermophilus trp RNA-binding attenuation protein (TRAP)
Descriptor: TRANSCRIPTION ATTENUATION PROTEIN MTRB, TRYPTOPHAN
Authors:Chen, C, Smits, C, Dodson, G.G, Shevtsov, M.B, Merlino, N, Gollnick, P, Antson, A.A.
Deposit date:2011-09-02
Release date:2011-10-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:How to Change the Oligomeric State of a Circular Protein Assembly: Switch from 11-Subunit to 12-Subunit Trap Suggests a General Mechanism
Plos One, 6, 2011
7U2U
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BU of 7u2u by Molmil
CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH Compound-2a AKA (2S)-2-(TERT-BUTOXY)-2-[7-(4,4-DIMETHYLPIPE RIDIN-1-YL)-8-{4-[2-(4-FLUOROPHENYL)ETHOXY]PHENYL}-2,5-DIM ETHYLIMIDAZO[1,2-A]PYRIDIN-6-YL]ACETIC ACID
Descriptor: (2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid, Integrase, SULFATE ION
Authors:Khan, J.A, lewis, H, Kish, K.
Deposit date:2022-02-24
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.839 Å)
Cite:Scaffold modifications to the 4-(4,4-dimethylpiperidinyl) 2,6-dimethylpyridinyl class of HIV-1 allosteric integrase inhibitors.
Bioorg.Med.Chem., 67, 2022
6LZ3
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BU of 6lz3 by Molmil
Structure of cryptochrome in active conformation
Descriptor: Cryptochrome2, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Shao, K, Zhang, X, Zhang, P.
Deposit date:2020-02-18
Release date:2020-04-29
Last modified:2020-11-11
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The oligomeric structures of plant cryptochromes.
Nat.Struct.Mol.Biol., 27, 2020
5YTP
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BU of 5ytp by Molmil
Crystal Structure of TTHA0139 L34A from Thermus thermophilus HB8
Descriptor: TTHA0139
Authors:Takao, K, Inoue, M, Fukui, K, Yano, T, Masui, R.
Deposit date:2017-11-19
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.457 Å)
Cite:Crystal Structure of TTHA0139 L34A from Thermus thermophilus HB8
To Be Published
3QYW
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BU of 3qyw by Molmil
Crystal structure of ERK2 in complex with an inhibitor
Descriptor: 6-(3-bromophenyl)-7H-purin-2-amine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:Gelin, M, Pochet, S, Hoh, F, Pirochi, M, Guichou, J.-F, Ferrer, J.-L, Labesse, G.
Deposit date:2011-03-04
Release date:2011-08-24
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:In-plate protein crystallization, in situ ligand soaking and X-ray diffraction.
Acta Crystallogr.,Sect.D, 67, 2011

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