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7YBX
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BU of 7ybx by Molmil
Crystal structure of FGFR4(V550M) kinase domain with 10z
Descriptor: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
Authors:Chen, X.J, Lin, Q.M, Chen, Y.H.
Deposit date:2022-06-30
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.233 Å)
Cite:Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
8GZ9
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BU of 8gz9 by Molmil
Cryo-EM structure of Abeta2 fibril polymorph2
Descriptor: peptide self-assembled antimicrobial fibrils
Authors:Xia, W.C, Zhang, M.M, Liu, C.
Deposit date:2022-09-26
Release date:2023-09-20
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:Engineering of antimicrobial peptide fibrils with feedback degradation of bacterial-secreted enzymes.
Chem Sci, 14, 2023
8GZ8
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BU of 8gz8 by Molmil
Cryo-EM structure of Abeta2 fibril polymorph1
Descriptor: peptide self-assembled antimicrobial fibrils
Authors:Xia, W.C, Zhang, M.M, Liu, C.
Deposit date:2022-09-26
Release date:2023-09-20
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:Engineering of antimicrobial peptide fibrils with feedback degradation of bacterial-secreted enzymes.
Chem Sci, 14, 2023
8HTX
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BU of 8htx by Molmil
Crystal structure of BANP in complex with methylated DNA
Descriptor: DNA (5'-D(*CP*TP*CP*TP*(5CM)P*GP*CP*GP*AP*GP*AP*G)-3'), Protein BANP
Authors:Zhang, J, Min, J, Liu, K.
Deposit date:2022-12-21
Release date:2023-05-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
8I7X
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BU of 8i7x by Molmil
Crystal structure of human ClpP in complex with ZG36
Descriptor: (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial
Authors:Wang, P.Y, Gan, J.H, Yang, C.-G.
Deposit date:2023-02-02
Release date:2023-07-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Assessment of the structure-activity relationship and antileukemic activity of diacylpyramide compounds as human ClpP agonists.
Eur.J.Med.Chem., 258, 2023
7C2L
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BU of 7c2l by Molmil
S protein of SARS-CoV-2 in complex bound with 4A8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, R.H, Zhang, Y.Y, Guo, Y.Y, Li, Y.N, Xia, L, Zhou, Q.
Deposit date:2020-05-08
Release date:2020-07-01
Last modified:2021-02-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:A neutralizing human antibody binds to the N-terminal domain of the Spike protein of SARS-CoV-2.
Science, 369, 2020
7CGW
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BU of 7cgw by Molmil
Complex structure of PD-1 and tislelizumab Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ...
Authors:Hong, Y, Feng, Y.C, Liu, Y.
Deposit date:2020-07-02
Release date:2021-04-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage.
Febs Open Bio, 11, 2021
7FJF
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BU of 7fjf by Molmil
Cryo-EM structure of a membrane protein(CS)
Descriptor: CHOLEST-5-EN-3-YL HYDROGEN SULFATE, T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha chain constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, ...
Authors:Chen, Y, Zhu, Y, Gao, W, Zhang, A, Guo, C, Huang, Z.
Deposit date:2021-08-03
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cholesterol inhibits TCR signaling by directly restricting TCR-CD3 core tunnel motility.
Mol.Cell, 82, 2022
7FJE
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BU of 7fje by Molmil
Cryo-EM structure of a membrane protein(LL)
Descriptor: CHOLESTEROL, T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha chain constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, ...
Authors:Chen, Y, Zhu, Y, Gao, W, Zhang, A, Guo, C, Huang, Z.
Deposit date:2021-08-03
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cholesterol inhibits TCR signaling by directly restricting TCR-CD3 core tunnel motility.
Mol.Cell, 82, 2022
7FJD
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BU of 7fjd by Molmil
Cryo-EM structure of a membrane protein(WT)
Descriptor: CHOLESTEROL, T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha chain constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, ...
Authors:Chen, Y, Zhu, Y, Gao, W, Zhang, A, Guo, C, Huang, Z.
Deposit date:2021-08-03
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cholesterol inhibits TCR signaling by directly restricting TCR-CD3 core tunnel motility.
Mol.Cell, 82, 2022
7UJ3
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BU of 7uj3 by Molmil
Crystal structure of Human respiratory syncytial virus F variant (construct pXCS847A)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, RSV variant (construct pXCS847A) F1, RSV variant (construct pXCS847A) F2, ...
Authors:Han, S, Ammirati, M.
Deposit date:2022-03-30
Release date:2023-04-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Rational design of a highly immunogenic prefusion-stabilized F glycoprotein antigen for a respiratory syncytial virus vaccine.
Sci Transl Med, 15, 2023
7UJA
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BU of 7uja by Molmil
Cryo-EM structure of Human respiratory syncytial virus F variant (construct pXCS847A)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM14 Fab heavy chain, AM14 Fab light chain, ...
Authors:Lees, J.A, Ammirati, M, Han, S.
Deposit date:2022-03-30
Release date:2023-04-19
Last modified:2023-05-10
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Rational design of a highly immunogenic prefusion-stabilized F glycoprotein antigen for a respiratory syncytial virus vaccine.
Sci Transl Med, 15, 2023
6KTC
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BU of 6ktc by Molmil
Crystal structure of YBX1 CSD with m5C RNA
Descriptor: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*GP*(5MC)P*CP*U)-3')
Authors:Zou, F, Li, S.
Deposit date:2019-08-27
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.008 Å)
Cite:DrosophilaYBX1 homolog YPS promotes ovarian germ line stem cell development by preferentially recognizing 5-methylcytosine RNAs.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KUG
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BU of 6kug by Molmil
Crystal structure of YBX1 CSD with RNA
Descriptor: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*GP*CP*CP*U)-3')
Authors:Zou, F, Li, S.
Deposit date:2019-09-02
Release date:2020-02-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:DrosophilaYBX1 homolog YPS promotes ovarian germ line stem cell development by preferentially recognizing 5-methylcytosine RNAs.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NFX
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BU of 6nfx by Molmil
MBTD1 MBT repeats
Descriptor: GLYCEROL, MBT domain-containing protein 1,Enhancer of polycomb homolog 1, SODIUM ION, ...
Authors:Zhang, H, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-12-21
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis for EPC1-Mediated Recruitment of MBTD1 into the NuA4/TIP60 Acetyltransferase Complex.
Cell Rep, 30, 2020
7VJL
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BU of 7vjl by Molmil
The crystal structure of FGFR4 kinase domain in complex with N-(5-cyano-4-((2-methoxyethyl)amino)pyridin-2-yl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
Descriptor: Fibroblast growth factor receptor 4, N-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2021-09-28
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.900173 Å)
Cite:Characterization of an aromatic trifluoromethyl ketone as a new warhead for covalently reversible kinase inhibitor design.
Bioorg.Med.Chem., 50, 2021
7XAF
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BU of 7xaf by Molmil
The crystal structure of TrkA kinase in complex with 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo- tetradecaphan-2-yne-45-carboxamide
Descriptor: 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide, High affinity nerve growth factor receptor
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2022-03-17
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.001182 Å)
Cite:Discovery of the First Highly Selective and Broadly Effective Macrocycle-Based Type II TRK Inhibitors that Overcome Clinically Acquired Resistance.
J.Med.Chem., 65, 2022
7Y9K
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BU of 7y9k by Molmil
Crystal structure of P450 BM3-TMK from Bacillus megaterium
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T.
Deposit date:2022-06-25
Release date:2023-06-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Engineering of a P450-based Kemp eliminase with a new mechanism
Chinese J Catal, 47, 2023
7Y9J
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BU of 7y9j by Molmil
Crystal structure of P450 BM3-TMK from Bacillus megaterium in complex with 5-nitro-1,2-benzisoxazole
Descriptor: 5-nitro-1,2-benzoxazole, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T.
Deposit date:2022-06-24
Release date:2023-06-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Engineering of a P450-based Kemp eliminase with a new mechanism
Chinese J Catal, 47, 2023
7WZS
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BU of 7wzs by Molmil
Crystal structure of Chromobacterium violaceum effector CopC in complex with host calmodulin and caspase-7
Descriptor: Calmodulin-1, Caspase-7, CopC
Authors:Ding, J.
Deposit date:2022-02-19
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Calmodulin Binding Activates Chromobacterium CopC Effector to ADP-Riboxanate Host Apoptotic Caspases.
Mbio, 13, 2022
7X3Z
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BU of 7x3z by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 1 complexed with estrone and NAD
Descriptor: (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, 17-beta-hydroxysteroid dehydrogenase type 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Li, T, Lin, S.X, Yin, H.
Deposit date:2022-03-01
Release date:2023-01-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:New insights into the substrate inhibition of human 17 beta-hydroxysteroid dehydrogenase type 1.
J.Steroid Biochem.Mol.Biol., 228, 2023
6J92
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BU of 6j92 by Molmil
Crystal structure of acetolactate decarboxylase from Enterbacter aerogenes
Descriptor: Alpha-acetolactate decarboxylase, CHLORIDE ION, ZINC ION
Authors:Mingyang, L, Song, X, Ji, F, Feng, Y.
Deposit date:2019-01-21
Release date:2020-01-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.421 Å)
Cite:Crystal structure of acetolactate decarboxylase from Enterbacter aerogenes
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