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5GLX
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BU of 5glx by Molmil
Crystal structure of a glycoside hydrolase from Thielavia terrestris NRRL 8126
Descriptor: Glycoside hydrolase family 45 protein
Authors:Gao, J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2016-07-12
Release date:2017-04-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Characterization and crystal structure of a thermostable glycoside hydrolase family 45 1,4-beta-endoglucanase from Thielavia terrestris
Enzyme Microb. Technol., 99, 2017
5GM5
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BU of 5gm5 by Molmil
Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 in complex with cellobiose
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endoglucanase-1, SULFATE ION, ...
Authors:Huang, J.W, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2016-07-12
Release date:2017-05-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structure and genetic modifications of FI-CMCase from Aspergillus aculeatus F-50
Biochem. Biophys. Res. Commun., 478, 2016
8WKH
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BU of 8wkh by Molmil
Crystal structure of group 13 allergen from Blomia tropicalis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Fatty acid-binding protein
Authors:Zhu, K.L, Gong, Y, Cui, Y.B.
Deposit date:2023-09-27
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Immunobiological properties and structure analysis of group 13 allergen from Blomia tropicalis and its IgE-mediated cross-reactivity.
Int.J.Biol.Macromol., 254, 2023
7E74
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BU of 7e74 by Molmil
Crystal structure of ENL YEATS domain T3 mutant in complex with histone H3 acetylation at K27
Descriptor: ALA-ALA-ARG-ALY, Protein ENL
Authors:Li, Y, Li, H.
Deposit date:2021-02-25
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Hotspot mutations in the structured ENL YEATS domain link aberrant transcriptional condensates and cancer.
Mol.Cell, 82, 2022
7VPA
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BU of 7vpa by Molmil
Crystal structure of Ple629 from marine microbial consortium
Descriptor: hydrolase Ple629
Authors:Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R.
Deposit date:2021-10-15
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular and Biochemical Differences of the Tandem and Cold-Adapted PET Hydrolases Ple628 and Ple629, Isolated From a Marine Microbial Consortium.
Front Bioeng Biotechnol, 10, 2022
7VMD
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BU of 7vmd by Molmil
Crystal structure of a hydrolases Ple628 from marine microbial consortium
Descriptor: CALCIUM ION, hydrolase Ple628
Authors:Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Molecular and Biochemical Differences of the Tandem and Cold-Adapted PET Hydrolases Ple628 and Ple629, Isolated From a Marine Microbial Consortium.
Front Bioeng Biotechnol, 10, 2022
8HLT
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BU of 8hlt by Molmil
The co-crystal structure of DYRK2 with YK-2-99B
Descriptor: (6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Shen, H.T, Xiao, Y.B, Yuan, K, Yang, P, Li, Q.N.
Deposit date:2022-12-01
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Potent DYRK2 Inhibitors with High Selectivity, Great Solubility, and Excellent Safety Properties for the Treatment of Prostate Cancer.
J.Med.Chem., 66, 2023
4KYK
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BU of 4kyk by Molmil
Crystal structure of mouse glyoxalase I complexed with indomethacin
Descriptor: INDOMETHACIN, Lactoylglutathione lyase, ZINC ION
Authors:Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y.
Deposit date:2013-05-29
Release date:2013-08-07
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Zopolrestat as a human glyoxalase I inhibitor and its structural basis.
Chemmedchem, 8, 2013
4KYH
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BU of 4kyh by Molmil
Crystal structure of mouse glyoxalase I complexed with zopolrestat
Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Lactoylglutathione lyase, ZINC ION
Authors:Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y.
Deposit date:2013-05-29
Release date:2013-08-07
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Zopolrestat as a human glyoxalase I inhibitor and its structural basis.
Chemmedchem, 8, 2013
5TWY
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BU of 5twy by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
Descriptor: 2-(benzyloxy)-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide, Maternal embryonic leucine zipper kinase
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2016-11-15
Release date:2017-11-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
5TWL
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BU of 5twl by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
Descriptor: 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1H)-one, Maternal embryonic leucine zipper kinase
Authors:Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S.
Deposit date:2016-11-14
Release date:2017-11-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
5TWZ
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BU of 5twz by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
Descriptor: 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, Maternal embryonic leucine zipper kinase
Authors:Seo, H.-Y, Dhe-Paganon, S.
Deposit date:2016-11-15
Release date:2017-11-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.631 Å)
Cite:MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
7Y3A
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BU of 7y3a by Molmil
Crystal structure of TRIM7 bound to 2C
Descriptor: E3 ubiquitin-protein ligase TRIM7,E3 ubiquitin-protein ligase TRIM7,E3 ubiquitin-protein ligase TRIM7,TRIM7-2C
Authors:Dong, C, Yan, X.
Deposit date:2022-06-10
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:C-terminal glutamine acts as a C-degron targeted by E3 ubiquitin ligase TRIM7.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Y3B
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BU of 7y3b by Molmil
Crystal structure of TRIM7 bound to GN1
Descriptor: E3 ubiquitin-protein ligase TRIM7,TRIM7-GN1
Authors:Dong, C, Yan, X.
Deposit date:2022-06-10
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:C-terminal glutamine acts as a C-degron targeted by E3 ubiquitin ligase TRIM7.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Y3C
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BU of 7y3c by Molmil
Crystal structure of TRIM7 bound to RACO-1
Descriptor: E3 ubiquitin-protein ligase TRIM7,E3 ubiquitin-protein ligase TRIM7,TRIM7-RACO-1
Authors:Dong, C, Yan, X.
Deposit date:2022-06-10
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:C-terminal glutamine acts as a C-degron targeted by E3 ubiquitin ligase TRIM7.
Proc.Natl.Acad.Sci.USA, 119, 2022
4N0F
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BU of 4n0f by Molmil
Human FcRn complexed with human serum albumin
Descriptor: Beta-2-microglobulin, IgG receptor FcRn large subunit p51, Serum albumin
Authors:Oganesyan, V, Wu, H, Dall'Acqua, W.F.
Deposit date:2013-10-01
Release date:2014-02-05
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Structural Insights into Neonatal Fc Receptor-based Recycling Mechanisms.
J.Biol.Chem., 289, 2014
4N0U
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BU of 4n0u by Molmil
Ternary complex between Neonatal Fc receptor, serum albumin and Fc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Ig gamma-1 chain C region, ...
Authors:Oganesyan, V, Wu, H, Dall'Acqua, W.F.
Deposit date:2013-10-02
Release date:2014-02-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural Insights into Neonatal Fc Receptor-based Recycling Mechanisms.
J.Biol.Chem., 289, 2014
4NFX
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BU of 4nfx by Molmil
Structure and atypical hydrolysis mechanism of the Nudix hydrolase Orf153 (YmfB) from Escherichia coli
Descriptor: Putative Nudix hydrolase ymfB
Authors:Hong, M.K, Kim, J.K, Kang, L.W.
Deposit date:2013-11-01
Release date:2014-05-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Divalent metal ion-based catalytic mechanism of the Nudix hydrolase Orf153 (YmfB) from Escherichia coli
Acta Crystallogr.,Sect.D, 70, 2014
5UUT
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BU of 5uut by Molmil
N-myristoyltransferase 1 (NMT) bound to myristoyl-CoA
Descriptor: CITRIC ACID, Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA
Authors:Goodwin, O, Pegan, S.
Deposit date:2017-02-17
Release date:2018-01-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Blocking Myristoylation of Src Inhibits Its Kinase Activity and Suppresses Prostate Cancer Progression.
Cancer Res., 77, 2017
4NSP
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BU of 4nsp by Molmil
Crystal structure of human ENDOV
Descriptor: Endonuclease V
Authors:Xie, W, Zhang, Z, Hao, Z.
Deposit date:2013-11-28
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of human endonuclease V as an inosine-specific ribonuclease.
Acta Crystallogr.,Sect.D, 70, 2014
4NFW
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BU of 4nfw by Molmil
Structure and atypical hydrolysis mechanism of the Nudix hydrolase Orf153 (YmfB) from Escherichia coli
Descriptor: MANGANESE (II) ION, Putative Nudix hydrolase ymfB, SULFATE ION
Authors:Hong, M.K, Kim, J.K, Kang, L.W.
Deposit date:2013-11-01
Release date:2014-05-14
Last modified:2015-03-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Divalent metal ion-based catalytic mechanism of the Nudix hydrolase Orf153 (YmfB) from Escherichia coli
Acta Crystallogr.,Sect.D, 70, 2014
4FLP
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BU of 4flp by Molmil
Crystal Structure of the first bromodomain of human BRDT in complex with the inhibitor JQ1
Descriptor: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Bromodomain testis-specific protein, POTASSIUM ION
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Canning, P, Muniz, J, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bradner, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2012-06-15
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Small-Molecule Inhibition of BRDT for Male Contraception.
Cell(Cambridge,Mass.), 150, 2012
4GHI
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BU of 4ghi by Molmil
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a benzoxadiazole antagonist
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Authors:Scheuermann, T.H, Key, J, Tambar, U.K, Bruick, R.K, Gardner, K.H.
Deposit date:2012-08-07
Release date:2013-02-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Allosteric inhibition of hypoxia inducible factor-2 with small molecules.
Nat.Chem.Biol., 9, 2013
4HLR
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BU of 4hlr by Molmil
Structural Determinants of Trimerization Specificity in HIV-1 gp41 Protein
Descriptor: Gp41, HEXANE-1,6-DIOL
Authors:Liu, J, Lu, M.
Deposit date:2012-10-17
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural Determinants of Trimerization Specificity in HIV-1 gp41 Protein
To be Published
7F65
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BU of 7f65 by Molmil
Bacetrial Cocaine Esterase with mutations T172R/G173Q/V116K/S117A/A51L, bound to benzoic acid
Descriptor: BENZOIC ACID, Cocaine esterase, SULFATE ION
Authors:Ouyang, P.F, Zhang, Y, Tong, J.
Deposit date:2021-06-24
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Computational Design and Crystal Structure of a Highly Efficient Benzoylecgonine Hydrolase.
Angew.Chem.Int.Ed.Engl., 60, 2021

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