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5WXL
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BU of 5wxl by Molmil
Crystal structure of the Rrs1 and Rpf2 complex
Descriptor: Regulator of ribosome biosynthesis, Ribosome biogenesis protein RPF2
Authors:Ye, K, Zheng, S.
Deposit date:2017-01-07
Release date:2017-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular architecture of the 90S small subunit pre-ribosome
Elife, 6, 2017
5WWN
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BU of 5wwn by Molmil
Crystal structure of Tsr1
Descriptor: Ribosome biogenesis protein TSR1, SULFATE ION
Authors:Ye, K, Wang, B.
Deposit date:2017-01-03
Release date:2017-06-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Molecular architecture of the 90S small subunit pre-ribosome
Elife, 6, 2017
5WXM
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BU of 5wxm by Molmil
Crystal structure of the Imp3 and Mpp10 complex
Descriptor: SULFATE ION, U3 small nucleolar RNA-associated protein MPP10, U3 small nucleolar ribonucleoprotein protein IMP3
Authors:Ye, K, Zheng, S.
Deposit date:2017-01-07
Release date:2017-06-28
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Molecular architecture of the 90S small subunit pre-ribosome
Elife, 6, 2017
5WWM
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BU of 5wwm by Molmil
Crystal structure of the TPR domain of Rrp5
Descriptor: SULFATE ION, rRNA biogenesis protein RRP5
Authors:Ye, K, Chen, X.
Deposit date:2017-01-03
Release date:2017-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.809 Å)
Cite:Correction: Molecular architecture of the 90S small subunit pre-ribosome
Elife, 6, 2017
5WYL
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BU of 5wyl by Molmil
Crystal structure of Chaetomium thermophilum Utp10 N-terminal domain in complex with Utp17 C-terminal helices
Descriptor: Putative uncharacterized protein
Authors:Chen, R, Zhu, X, Ye, K.
Deposit date:2017-01-13
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.638 Å)
Cite:Molecular architecture of the 90S small subunit pre-ribosome
Elife, 6, 2017
6PBK
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BU of 6pbk by Molmil
Archaellum periplasmic stator protein complex FlaF and FlaG from Sulfolobus acidocaldarius
Descriptor: 1,2-ETHANEDIOL, Conserved flagellar protein F, DI(HYDROXYETHYL)ETHER, ...
Authors:Tsai, C.-L, Tainer, J.A.
Deposit date:2019-06-14
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:The structure of the periplasmic FlaG-FlaF complex and its essential role for archaellar swimming motility.
Nat Microbiol, 5, 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
3E6U
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BU of 3e6u by Molmil
Crystal structure of Human LanCL1
Descriptor: LanC-like protein 1, ZINC ION
Authors:Zhang, W, Zhu, G, Li, X, Rao, Z, Zhang, C.
Deposit date:2008-08-16
Release date:2009-06-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione
Genes Dev., 23, 2009
3E73
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BU of 3e73 by Molmil
Crystal Structure of Human LanCL1 complexed with GSH
Descriptor: GLUTATHIONE, LanC-like protein 1, ZINC ION
Authors:Zhang, W, Zhu, G, Li, X, Rao, Z, Zhang, C.
Deposit date:2008-08-17
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione
Genes Dev., 23, 2009
5UG9
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BU of 5ug9 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-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
Descriptor: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
Authors:Gajiwala, K.S, Ferre, R.A.
Deposit date:2017-01-07
Release date:2017-03-22
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.33 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
5UGA
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BU of 5uga by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium
Descriptor: 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor, GLYCEROL, ...
Authors:Gajiwala, K.S, Ferre, R.A.
Deposit date:2017-01-07
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.82 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
5UGB
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BU of 5ugb by Molmil
Crystal structure of the EGFR kinase domain in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium
Descriptor: 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor
Authors:Gajiwala, K.S, Ferre, R.A.
Deposit date:2017-01-07
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.53 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
5UGC
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BU of 5ugc 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-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
Descriptor: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
Authors:Gajiwala, K.S, Ferre, R.A.
Deposit date:2017-01-08
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.58 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
6OT0
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BU of 6ot0 by Molmil
Structure of human Smoothened-Gi complex
Descriptor: 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL, Fab heavy chain, Fab light chain, ...
Authors:Qi, X, Li, X.
Deposit date:2019-05-02
Release date:2019-06-12
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structure of oxysterol-bound human Smoothened coupled to a heterotrimeric Gi.
Nature, 571, 2019
8I87
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BU of 8i87 by Molmil
Cryo-EM structure of TIR-APAZ/Ago-gRNA-DNA complex
Descriptor: DNA (5'-D(P*TP*AP*TP*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*A)-3'), MAGNESIUM ION, Piwi domain-containing protein, ...
Authors:Zhang, H, Deng, Z.Q, Yu, G.M, Li, X.Z, Wang, X.S.
Deposit date:2023-02-03
Release date:2023-07-19
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into mechanisms of Argonaute protein-associated NADase activation in bacterial immunity.
Cell Res., 33, 2023
5ITA
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BU of 5ita by Molmil
Crystal Structure of BRAF Kinase Domain Bound to AZ-VEM
Descriptor: N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
Authors:Wu, Y, Gavathiotis, E.
Deposit date:2016-03-16
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling
Cancer Cell, 30, 2016
5WJ6
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BU of 5wj6 by Molmil
Crystal structure of glutaminase C in complex with inhibitor 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide (UPGL-00004)
Descriptor: 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial
Authors:Huang, Q, Cerione, R.A.
Deposit date:2017-07-21
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.445 Å)
Cite:Characterization of the interactions of potent allosteric inhibitors with glutaminase C, a key enzyme in cancer cell glutamine metabolism.
J. Biol. Chem., 293, 2018
7YC9
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BU of 7yc9 by Molmil
Co-crystal structure of BTK kinase domain with inhibitor
Descriptor: (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK
Authors:Zhou, X.
Deposit date:2022-07-01
Release date:2023-05-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
5ZZ2
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BU of 5zz2 by Molmil
Crystal structure of PDE5 in complex with inhibitor LW1634
Descriptor: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ...
Authors:Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B.
Deposit date:2018-05-29
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
J. Med. Chem., 61, 2018
7XPQ
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BU of 7xpq by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD/UDP-GlcNAc
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Chen, Y.H, Wang, X.C, Zhang, C.R.
Deposit date:2022-05-05
Release date:2023-05-17
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
7XPO
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BU of 7xpo by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD/UDP-Glc
Descriptor: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, ...
Authors:Chen, Y.H, Wang, X.C, Zhang, C.R.
Deposit date:2022-05-05
Release date:2023-05-17
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
7XPP
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BU of 7xpp by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase
Authors:Chen, Y.H, Wang, X.C, Zhang, C.R.
Deposit date:2022-05-05
Release date:2023-05-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
6SCF
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BU of 6scf by Molmil
A viral anti-CRISPR subverts type III CRISPR immunity by rapid degradation of cyclic oligoadenylate
Descriptor: Uncharacterized protein, cyclic oligoadenylate
Authors:McMahon, S.A, Athukoralage, J.S, Graham, S, White, M.F, Gloster, T.M.
Deposit date:2019-07-24
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:An anti-CRISPR viral ring nuclease subverts type III CRISPR immunity.
Nature, 577, 2020
2HWO
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BU of 2hwo by Molmil
Crystal structure of Src kinase domain in complex with covalent inhibitor
Descriptor: GLYCEROL, N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE, Proto-oncogene tyrosine-protein kinase Src
Authors:Rauh, D, Blair, J.A, Shokat, K.M.
Deposit date:2006-08-01
Release date:2007-02-27
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided development of affinity probes for tyrosine kinases using chemical genetics.
Nat.Chem.Biol., 3, 2007
2HWP
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BU of 2hwp by Molmil
Crystal structure of Src kinase domain in complex with covalent inhibitor PD168393
Descriptor: N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE, Proto-oncogene tyrosine-protein kinase Src
Authors:Rauh, D, Blair, J.A, Shokat, K.M.
Deposit date:2006-08-01
Release date:2007-02-27
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structure-guided development of affinity probes for tyrosine kinases using chemical genetics.
Nat.Chem.Biol., 3, 2007

221051

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