6M6I
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![BU of 6m6i by Molmil](/molmil-images/mine/6m6i) | Structure of HSV2 B-capsid portal vertex | Descriptor: | Coiled coils chain 1, Coiled coils chain 2, Major capsid protein, ... | Authors: | Wang, X.X, Wang, N. | Deposit date: | 2020-03-14 | Release date: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (4.05 Å) | Cite: | Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation. Protein Cell, 11, 2020
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6M6H
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![BU of 6m6h by Molmil](/molmil-images/mine/6m6h) | Structure of HSV2 C-capsid portal vertex | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ... | Authors: | Wang, X.X, Wang, N. | Deposit date: | 2020-03-14 | Release date: | 2021-03-24 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation. Protein Cell, 11, 2020
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6M6G
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![BU of 6m6g by Molmil](/molmil-images/mine/6m6g) | Structure of HSV2 viron capsid portal vertex | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Coiled coils, ... | Authors: | Wang, X.X, Wang, N. | Deposit date: | 2020-03-14 | Release date: | 2021-03-24 | Method: | ELECTRON MICROSCOPY (5.39 Å) | Cite: | Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation. Protein Cell, 11, 2020
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3HHU
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![BU of 3hhu by Molmil](/molmil-images/mine/3hhu) | Human heat-shock protein 90 (HSP90) in complex with {4-[3-(2,4-dihydroxy-5-isopropyl-phenyl)-5-thioxo- 1,5-dihydro-[1,2,4]triazol-4-yl]-benzyl}-carbamic acid ethyl ester {ZK 2819} | Descriptor: | Heat shock protein HSP 90-alpha, ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate | Authors: | Adler, M, Whitlow, M. | Deposit date: | 2009-05-17 | Release date: | 2009-07-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Potent triazolothione inhibitor of heat-shock protein-90. Chem.Biol.Drug Des., 74, 2009
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3WB9
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![BU of 3wb9 by Molmil](/molmil-images/mine/3wb9) | Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum | Descriptor: | Diaminopimelate dehydrogenase, GLYCEROL | Authors: | Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2013-05-14 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum. Chembiochem, 15, 2014
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3WBF
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![BU of 3wbf by Molmil](/molmil-images/mine/3wbf) | Crystal Structure of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum co-crystallized with NADP+ and DAP | Descriptor: | 2,6-DIAMINOPIMELIC ACID, Diaminopimelate dehydrogenase, GLYCEROL, ... | Authors: | Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2013-05-15 | Release date: | 2014-03-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum. Chembiochem, 15, 2014
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3WBB
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![BU of 3wbb by Molmil](/molmil-images/mine/3wbb) | Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum | Descriptor: | Diaminopimelate dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2013-05-14 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum. Chembiochem, 15, 2014
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5Y66
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![BU of 5y66 by Molmil](/molmil-images/mine/5y66) | Crystal structure of Pseudomonas fluorescens Kynurenine 3-monooxygenase in complex with L-KYN and Ro61-8048 | Descriptor: | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Xiang, Y, Gao, J.J, Zhu, D.Y. | Deposit date: | 2017-08-10 | Release date: | 2017-12-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Biochemistry and structural studies of kynurenine 3-monooxygenase reveal allosteric inhibition by Ro 61-8048 FASEB J., 32, 2018
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5Y7A
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![BU of 5y7a by Molmil](/molmil-images/mine/5y7a) | |
5Y77
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![BU of 5y77 by Molmil](/molmil-images/mine/5y77) | |
8HQP
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![BU of 8hqp by Molmil](/molmil-images/mine/8hqp) | Crystal structure of AbHheG mutant from Acidimicrobiia bacterium | Descriptor: | AbHheG_m | Authors: | Zhou, C.H, Chen, X, Han, X, Liu, W.D, Wu, Q.Q, Zhu, D.M, Ma, Y.H. | Deposit date: | 2022-12-13 | Release date: | 2023-08-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Flipping the Substrate Creates a Highly Selective Halohydrin Dehalogenase for the Synthesis of Chiral 4-Aryl-2-oxazolidinones from Readily Available Epoxides Acs Catalysis, 13, 2023
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8H8Y
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![BU of 8h8y by Molmil](/molmil-images/mine/8h8y) | Crystal structure of AbHheG from Acidimicrobiia bacterium | Descriptor: | GLYCEROL, alpha/beta hydrolase | Authors: | Zhou, C.H, Chen, X, Han, X, Liu, W.D, Wu, Q.Q, Zhu, D.M, Ma, Y.H. | Deposit date: | 2022-10-24 | Release date: | 2023-08-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Flipping the Substrate Creates a Highly Selective Halohydrin Dehalogenase for the Synthesis of Chiral 4-Aryl-2-oxazolidinones from Readily Available Epoxides Acs Catalysis, 13, 2023
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3A0E
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![BU of 3a0e by Molmil](/molmil-images/mine/3a0e) | Crystal Structure of Polygonatum cyrtonema lectin (PCL) complexed with dimannoside | Descriptor: | Mannose/sialic acid-binding lectin, SULFATE ION, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose | Authors: | Ding, J, Wang, D.C. | Deposit date: | 2009-03-16 | Release date: | 2010-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of a novel anti-HIV mannose-binding lectin from Polygonatum cyrtonema Hua with unique ligand-binding property and super-structure J.Struct.Biol., 171, 2010
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3A0C
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![BU of 3a0c by Molmil](/molmil-images/mine/3a0c) | |
3A0D
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![BU of 3a0d by Molmil](/molmil-images/mine/3a0d) | |
7BPC
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![BU of 7bpc by Molmil](/molmil-images/mine/7bpc) | Crystal structure of 2, 3-dihydroxybenzoic acid decarboxylase from Fusarium oxysporum in complex with 2,5-DHBA | Descriptor: | 2,3-dihydroxybenzoate decarboxylase, 2,5-dihydroxybenzoic acid, ZINC ION | Authors: | Song, M.K, Feng, J.H, Liu, W.D, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2020-03-22 | Release date: | 2020-07-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | 2,3-Dihydroxybenzoic Acid Decarboxylase from Fusarium oxysporum: Crystal Structures and Substrate Recognition Mechanism. Chembiochem, 21, 2020
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7BP1
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![BU of 7bp1 by Molmil](/molmil-images/mine/7bp1) | Crystal structure of 2, 3-dihydroxybenzoic acid decarboxylase from Fusarium oxysporum in complex with Catechol | Descriptor: | 2,3-dihydroxybenzoate decarboxylase, CATECHOL, ZINC ION | Authors: | Song, M.K, Feng, J.H, Liu, W.D, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2020-03-21 | Release date: | 2020-07-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | 2,3-Dihydroxybenzoic Acid Decarboxylase from Fusarium oxysporum: Crystal Structures and Substrate Recognition Mechanism. Chembiochem, 21, 2020
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6B4W
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![BU of 6b4w by Molmil](/molmil-images/mine/6b4w) | TTK in Complex with Inhibitor | Descriptor: | 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide, CACODYLATE ION, Dual specificity protein kinase TTK | Authors: | Delker, S, Chamberlain, P.P. | Deposit date: | 2017-09-27 | Release date: | 2017-10-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen. J. Med. Chem., 60, 2017
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4ZXD
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![BU of 4zxd by Molmil](/molmil-images/mine/4zxd) | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD | Descriptor: | Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit | Authors: | Liu, S, Su, T, Zhang, C, Gu, L. | Deposit date: | 2015-05-20 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.052 Å) | Cite: | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases. J.Biol.Chem., 290, 2015
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4ZXC
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![BU of 4zxc by Molmil](/molmil-images/mine/4zxc) | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD in complex with Fe3+ | Descriptor: | FE (III) ION, Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit | Authors: | Liu, S, Su, T, Zhang, C, Gu, L. | Deposit date: | 2015-05-20 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases. J.Biol.Chem., 290, 2015
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4ZXA
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![BU of 4zxa by Molmil](/molmil-images/mine/4zxa) | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD in complex with Cd2+ and 4-hydroxybenzonitrile | Descriptor: | 4-hydroxybenzonitrile, CADMIUM ION, Hydroquinone dioxygenase large subunit, ... | Authors: | Liu, S, Su, T, Zhang, C, Gu, L. | Deposit date: | 2015-05-20 | Release date: | 2015-09-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.488 Å) | Cite: | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases. J.Biol.Chem., 290, 2015
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8HIF
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![BU of 8hif by Molmil](/molmil-images/mine/8hif) | One asymmetric unit of Singapore grouper iridovirus capsid | Descriptor: | Major capsid protein, Penton protein (VP14), VP137, ... | Authors: | Zhao, Z.N, Liu, C.C, Zhu, D.J, Qi, J.X, Zhang, X.Z, Gao, G.F. | Deposit date: | 2022-11-20 | Release date: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Near-atomic architecture of Singapore grouper iridovirus and implications for giant virus assembly. Nat Commun, 14, 2023
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5MG0
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![BU of 5mg0 by Molmil](/molmil-images/mine/5mg0) | Structure of PAS-GAF fragment of Deinococcus phytochrome by serial femtosecond crystallography | Descriptor: | 1,2-ETHANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, ... | Authors: | Burgie, E.S, Fuller, F.D, Gul, S, Miller, M.D, Young, I.D, Brewster, A.S, Clinger, J, Aller, P, Braeuer, P, Hutchison, C, Alonso-Mori, R, Kern, J, Yachandra, V.K, Yano, J, Sauter, N.K, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M. | Deposit date: | 2016-11-20 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers. Nat. Methods, 14, 2017
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5MG1
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![BU of 5mg1 by Molmil](/molmil-images/mine/5mg1) | Structure of the photosensory module of Deinococcus phytochrome by serial femtosecond X-ray crystallography | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | Authors: | Burgie, E.S, Fuller, F.D, Gul, S, Young, I.D, Brewster, A.S, Clinger, J, Andi, B, Stan, C, Allaire, M, Nelsen, S, Alonso-Mori, R, Phillips Jr, G.N, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J, Vierstra, R.D, Orville, A.M. | Deposit date: | 2016-11-20 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers. Nat. Methods, 14, 2017
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6N6O
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![BU of 6n6o by Molmil](/molmil-images/mine/6n6o) | Crystal structure of the human TTK in complex with an inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide, Dual specificity protein kinase TTK, ... | Authors: | Fenalti, G. | Deposit date: | 2018-11-26 | Release date: | 2019-05-15 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy. J.Med.Chem., 62, 2019
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