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6AAU
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BU of 6aau by Molmil
Solution Structure for m62A helix 45 in 3' end of 12S rRNA
Descriptor: RNA (24-mer)
Authors:Liu, X, Wu, P.
Deposit date:2018-07-19
Release date:2019-06-05
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function.
Nucleic Acids Res., 47, 2019
6AAS
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BU of 6aas by Molmil
Solution Structure for helix 45 in 3' end of 12S rRNA
Descriptor: RNA (28-MER)
Authors:Liu, X, Wu, P.
Deposit date:2018-07-19
Release date:2019-06-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function.
Nucleic Acids Res., 47, 2019
4NS5
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BU of 4ns5 by Molmil
Crystal structure of human BS69 Bromo-Zinc finger-PWWP
Descriptor: ZINC ION, Zinc finger MYND domain-containing protein 11
Authors:Wang, J.C, Qin, S, Li, F.D, Li, S, Zhang, W, Wu, J.H, Shi, Y.Y.
Deposit date:2013-11-28
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human BS69 Bromo-ZnF-PWWP reveals its role in H3K36me3 nucleosome binding.
Cell Res., 24, 2014
6CQD
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BU of 6cqd by Molmil
Crystal structure of HPK1 in complex with ATP analogue (AMPPNP)
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Wu, P, Lehoux, I, Franke, Y, Mortara, K, Wang, W.
Deposit date:2018-03-14
Release date:2018-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Structure, 27, 2019
6CFG
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BU of 6cfg by Molmil
Crystal structure of the A/Vietnam/1203/2004 (H5N1) influenza virus hemagglutinin in complex with small molecule JNJ4796
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Kadam, R.U, Wilson, I.A.
Deposit date:2018-02-14
Release date:2019-02-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:A small-molecule fusion inhibitor of influenza virus is orally active in mice.
Science, 363, 2019
6CQE
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BU of 6cqe by Molmil
Crystal structure of HPK1 kinase domain S171A mutant
Descriptor: Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Wu, P, Lehoux, I, Mortara, K, Franke, Y, Wang, W.
Deposit date:2018-03-15
Release date:2018-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.886 Å)
Cite:Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Structure, 27, 2019
6CF7
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BU of 6cf7 by Molmil
Crystal structure of the A/Solomon Islands/3/2006(H1N1) influenza virus hemagglutinin in complex with small molecule JNJ4796
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Kadam, R.U, Wilson, I.A.
Deposit date:2018-02-13
Release date:2019-02-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.719 Å)
Cite:A small-molecule fusion inhibitor of influenza virus is orally active in mice.
Science, 363, 2019
6CQF
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BU of 6cqf by Molmil
Crystal structure of HPK1 in complex an inhibitor G1858
Descriptor: Mitogen-activated protein kinase kinase kinase kinase 1, N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine
Authors:Wu, P, Lehoux, I, Mortara, K, Franke, Y, Chan, B.K, Wang, W.
Deposit date:2018-03-15
Release date:2018-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Structure, 27, 2019
2QBR
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BU of 2qbr by Molmil
Crystal structure of ptp1b-inhibitor complex
Descriptor: 5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
Authors:Xu, W.
Deposit date:2007-06-18
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
2QBQ
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BU of 2qbq by Molmil
Crystal structure of ptp1b-inhibitor complex
Descriptor: 4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[(3,3,5,5-TETRAMETHYLCYCLOHEXYL)AMINO]PHENYL}THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
Authors:Xu, W.
Deposit date:2007-06-18
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
2QBP
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BU of 2qbp by Molmil
Crystal structure of ptp1b-inhibitor complex
Descriptor: 5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
Authors:Xu, W.
Deposit date:2007-06-18
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
2QBS
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BU of 2qbs by Molmil
Crystal structure of ptp1b-inhibitor complex
Descriptor: 4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
Authors:Xu, W.
Deposit date:2007-06-18
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
7F0D
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BU of 7f0d by Molmil
Cryo-EM structure of Mycobacterium tuberculosis 50S ribosome subunit bound with clarithromycin
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Zhang, W, Sun, Y, Gao, N, Li, Z.
Deposit date:2021-06-03
Release date:2022-06-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of Mycobacterium tuberculosis 50S ribosomal subunit bound with clarithromycin reveals dynamic and specific interactions with macrolides.
Emerg Microbes Infect, 11, 2022
4YZU
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BU of 4yzu by Molmil
Rapid development of two Factor IXa inhibitors from Hit to Lead
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Coagulation factor IX, ...
Authors:Hruza, A, Reichert, P.
Deposit date:2015-03-25
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Rapid development of two factor IXa inhibitors from hit to lead.
Bioorg.Med.Chem.Lett., 25, 2015
5F59
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BU of 5f59 by Molmil
The crystal structure of MLL3 SET domain
Descriptor: Histone-lysine N-methyltransferase 2C, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Li, Y, Lei, M, Chen, Y.
Deposit date:2015-12-04
Release date:2016-02-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
5F5E
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BU of 5f5e by Molmil
The Crystal Structure of MLL1 SET domain with N3816I/Q3867L mutation
Descriptor: Histone-lysine N-methyltransferase 2A, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Li, Y, Lei, M, Chen, Y.
Deposit date:2015-12-04
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
5F6L
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BU of 5f6l by Molmil
The crystal structure of MLL1 (N3861I/Q3867L) in complex with RbBP5 and Ash2L
Descriptor: Histone-lysine N-methyltransferase 2A, Retinoblastoma-binding protein 5, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Li, Y, Lei, M, Chen, Y.
Deposit date:2015-12-06
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
4Z0K
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BU of 4z0k by Molmil
Rapid development of two Factor IXa inhibitors from Hit to Lead
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Coagulation factor IX, ...
Authors:Hruza, A, Reichert, P.
Deposit date:2015-03-26
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Rapid development of two factor IXa inhibitors from hit to lead.
Bioorg.Med.Chem.Lett., 25, 2015
5F6K
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BU of 5f6k by Molmil
Crystal structure of the MLL3-Ash2L-RbBP5 complex
Descriptor: Histone-lysine N-methyltransferase 2C, Retinoblastoma-binding protein 5, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Li, Y, Lei, M, Chen, Y.
Deposit date:2015-12-06
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.411 Å)
Cite:Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
6C6M
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BU of 6c6m by Molmil
IgCam3 of human MLCK1
Descriptor: Myosin light chain kinase, smooth muscle
Authors:Zuccola, H.J, Turner, J.
Deposit date:2018-01-19
Release date:2019-01-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Intracellular MLCK1 diversion reverses barrier loss to restore mucosal homeostasis.
Nat. Med., 25, 2019
5GH9
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BU of 5gh9 by Molmil
Crystal structure of CBP Bromodomain with H3K56ac peptide
Descriptor: CREB-binding protein, Histone H3
Authors:Xu, L.
Deposit date:2016-06-19
Release date:2017-06-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Structural insight into CBP bromodomain-mediated recognition of acetylated histone H3K56ac
FEBS J., 2017
8HP3
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BU of 8hp3 by Molmil
Crystal structure of meso-diaminopimelate dehydrogenase from Prevotella timonensis
Descriptor: 1,2-ETHANEDIOL, Meso-diaminopimelate D-dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Tan, Y, Song, W.
Deposit date:2022-12-11
Release date:2023-12-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Rational Design of Meso -Diaminopimelate Dehydrogenase with Enhanced Reductive Amination Activity for Efficient Production of d- p -Hydroxyphenylglycine.
Appl.Environ.Microbiol., 89, 2023
8HP0
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BU of 8hp0 by Molmil
Crystal structure of meso-diaminopimelate dehydrogenase from Prevotella timonensis
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Meso-diaminopimelate D-dehydrogenase, SULFATE ION
Authors:Tan, Y, Song, W.
Deposit date:2022-12-11
Release date:2023-12-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Rational Design of Meso -Diaminopimelate Dehydrogenase with Enhanced Reductive Amination Activity for Efficient Production of d- p -Hydroxyphenylglycine.
Appl.Environ.Microbiol., 89, 2023
8HPE
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BU of 8hpe by Molmil
Crystal structure of Leucine dehydrogenase
Descriptor: GLYCEROL, Leucine dehydrogenase, SULFATE ION
Authors:Li, X, Song, W.
Deposit date:2022-12-12
Release date:2024-03-20
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:A Tri-Enzyme Cascade for Efficient Production of L-2-Aminobutyrate from L-Threonine.
Chembiochem, 24, 2023
8HR6
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BU of 8hr6 by Molmil
leucine DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ from Bacillus thuringiensis
Descriptor: Leucine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Li, X, Song, W.
Deposit date:2022-12-14
Release date:2024-03-20
Method:X-RAY DIFFRACTION (3.52 Å)
Cite:A Tri-Enzyme Cascade for Efficient Production of L-2-Aminobutyrate from L-Threonine.
Chembiochem, 24, 2023

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