4DHM
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![BU of 4dhm by Molmil](/molmil-images/mine/4dhm) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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4DHT
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![BU of 4dht by Molmil](/molmil-images/mine/4dht) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | 14-3-3 PROTEIN SIGMA, CHLORIDE ION, GLYCEROL, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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6FHJ
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![BU of 6fhj by Molmil](/molmil-images/mine/6fhj) | Structural dynamics and catalytic properties of a multi-modular xanthanase, native. | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Moroz, O.V, Jensen, P.F, McDonald, S.P, McGregor, N, Blagova, E, Comamala, G, Segura, D.R, Anderson, L, Vasu, S.M, Rao, V.P, Giger, L, Monrad, R.N, Svendsen, A, Nielsen, J.E, Henrissat, B, Davies, G.J, Brumer, H, Rand, K, Wilson, K.S. | Deposit date: | 2018-01-14 | Release date: | 2018-08-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural Dynamics and Catalytic Properties of a Multimodular Xanthanase Acs Catalysis, 2018
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6FWZ
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![BU of 6fwz by Molmil](/molmil-images/mine/6fwz) | Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with UDP-GlcNAc | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, MAGNESIUM ION, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, ... | Authors: | Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-07 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design. Cell, 175, 2018
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1QFE
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![BU of 1qfe by Molmil](/molmil-images/mine/1qfe) | THE STRUCTURE OF TYPE I 3-DEHYDROQUINATE DEHYDRATASE FROM SALMONELLA TYPHI | Descriptor: | 3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENECARBOXYLATE, PROTEIN (3-DEHYDROQUINATE DEHYDRATASE) | Authors: | Shrive, A.K, Polikarpov, I, Sawyer, L, Coggins, J.R, Hawkins, A.R. | Deposit date: | 1999-04-05 | Release date: | 2000-04-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The two types of 3-dehydroquinase have distinct structures but catalyze the same overall reaction. Nat.Struct.Biol., 6, 1999
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1QGJ
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![BU of 1qgj by Molmil](/molmil-images/mine/1qgj) | ARABIDOPSIS THALIANA PEROXIDASE N | Descriptor: | CALCIUM ION, GLUTATHIONE, PEROXIDASE N, ... | Authors: | Mirza, O, Oestergaard, L, Welinder, K.G, Henriksen, A, Gajhede, M. | Deposit date: | 1999-04-29 | Release date: | 2000-03-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Arabidopsis thaliana peroxidase N: structure of a novel neutral peroxidase. Acta Crystallogr.,Sect.D, 56, 2000
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5BT1
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![BU of 5bt1 by Molmil](/molmil-images/mine/5bt1) | histone chaperone Hif1 playing with histone H2A-H2B dimer | Descriptor: | HAT1-interacting factor 1, Histone H2A.1, Histone H2B.1 | Authors: | Liu, H, Zhang, M, Gao, Y, Teng, M, Niu, L. | Deposit date: | 2015-06-02 | Release date: | 2016-10-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural Insights into the Association of Hif1 with Histones H2A-H2B Dimer and H3-H4 Tetramer Structure, 24, 2016
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5BMS
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6FM9
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![BU of 6fm9 by Molmil](/molmil-images/mine/6fm9) | Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase | Authors: | Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2018-01-30 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design. Cell, 175, 2018
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5C1Y
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![BU of 5c1y by Molmil](/molmil-images/mine/5c1y) | Crystal structure of EV71 3C Proteinase in complex with Compound 1 | Descriptor: | 3C proteinase, propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | Deposit date: | 2015-06-15 | Release date: | 2016-06-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71 J.Mol.Recognit., 29, 2016
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5CBE
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![BU of 5cbe by Molmil](/molmil-images/mine/5cbe) | E10 in complex with CXCL13 | Descriptor: | 1,2-ETHANEDIOL, C-X-C motif chemokine 13, E10 heavy chain, ... | Authors: | Tu, C, Bard, J, Mosyak, L. | Deposit date: | 2015-06-30 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Combination of Structural and Empirical Analyses Delineates the Key Contacts Mediating Stability and Affinity Increases in an Optimized Biotherapeutic Single-chain Fv (scFv). J. Biol. Chem., 291, 2016
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8PBD
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![BU of 8pbd by Molmil](/molmil-images/mine/8pbd) | |
8PBC
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![BU of 8pbc by Molmil](/molmil-images/mine/8pbc) | |
8ONG
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![BU of 8ong by Molmil](/molmil-images/mine/8ong) | |
8OQI
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![BU of 8oqi by Molmil](/molmil-images/mine/8oqi) | Cryo-EM structure of the wild-type alpha-synuclein fibril. | Descriptor: | Alpha-synuclein | Authors: | Pesch, V, Reithofer, S, Ma, L, Flores-Fernandez, J.M, Oezduezenciler, P, Busch, Y, Lien, Y, Rudtke, O, Frieg, B, Schroeder, G.F, Wille, H, Tamgueney, G. | Deposit date: | 2023-04-12 | Release date: | 2024-03-13 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Vaccination with structurally adapted fungal protein fibrils induces immunity to Parkinson's disease. Brain, 147, 2024
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8PDE
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![BU of 8pde by Molmil](/molmil-images/mine/8pde) | Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC4 deacetylase binding motif | Descriptor: | DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), HDAC4 (histone deacetylase 4) binding motif peptide:GSGEVKMKLQEFVLNKK, ... | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | Deposit date: | 2023-06-12 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol., 436, 2024
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5J5E
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![BU of 5j5e by Molmil](/molmil-images/mine/5j5e) | crystal structure of antigen-ERAP1 domain complex | Descriptor: | Endoplasmic reticulum aminopeptidase 1 | Authors: | Sui, L, Gandhi, A, Guo, H.-C. | Deposit date: | 2016-04-02 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of a polypeptide's C-terminus in complex with the regulatory domain of ER aminopeptidase 1. Mol.Immunol., 80, 2016
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5ITR
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![BU of 5itr by Molmil](/molmil-images/mine/5itr) | Crystal Structure of Human NEIL1(P2G) bound to duplex DNA containing THF | Descriptor: | DNA (26-MER), Endonuclease 8-like 1 | Authors: | Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C. | Deposit date: | 2016-03-17 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair Proc.Natl.Acad.Sci.USA, 113, 2016
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5J3U
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![BU of 5j3u by Molmil](/molmil-images/mine/5j3u) | Co-crystal structure of the regulatory domain of Toxoplasma gondii PKA with cAMP | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GLYCEROL, Protein Kinase A | Authors: | El Bakkouri, M, Walker, J.R, Tempel, W, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lin, L, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-31 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Co-crystal structure of the regulatory domain of Toxoplasma gondii PKA with cAMP To Be Published
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5J0F
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![BU of 5j0f by Molmil](/molmil-images/mine/5j0f) | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P4/5 | Descriptor: | GLYCEROL, Superoxide dismutase [Cu-Zn],OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | Deposit date: | 2016-03-28 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016
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5ITX
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![BU of 5itx by Molmil](/molmil-images/mine/5itx) | Crystal Structure of Human NEIL1(P2G R242K) bound to duplex DNA containing Thymine Glycol | Descriptor: | DNA (26-MER), Endonuclease 8-like 1 | Authors: | Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C. | Deposit date: | 2016-03-17 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair Proc.Natl.Acad.Sci.USA, 113, 2016
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5JAE
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![BU of 5jae by Molmil](/molmil-images/mine/5jae) | LeuT in the outward-oriented, Na+-free return state, P21 form at pH 6.5 | Descriptor: | Transporter, octyl beta-D-glucopyranoside | Authors: | Malinauskaite, L, Sahin, C, Said, S, Grouleff, J, Shahsavar, A, Bjerregaard, H, Noer, P, Severinsen, K, Boesen, T, Schiott, B, Sinning, S, Nissen, P. | Deposit date: | 2016-04-12 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A conserved leucine occupies the empty substrate site of LeuT in the Na(+)-free return state. Nat Commun, 7, 2016
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5ITQ
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![BU of 5itq by Molmil](/molmil-images/mine/5itq) | Crystal Structure of Human NEIL1, Free Protein | Descriptor: | Endonuclease 8-like 1 | Authors: | Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C. | Deposit date: | 2016-03-17 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair Proc.Natl.Acad.Sci.USA, 113, 2016
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5ITY
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![BU of 5ity by Molmil](/molmil-images/mine/5ity) | Crystal Structure of Human NEIL1(P2G) bound to duplex DNA containing Thymine Glycol | Descriptor: | DNA (26-MER), Endonuclease 8-like 1, GLYCEROL | Authors: | Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C. | Deposit date: | 2016-03-17 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair Proc.Natl.Acad.Sci.USA, 113, 2016
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5JKI
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![BU of 5jki by Molmil](/molmil-images/mine/5jki) | Crystal structure of the first transmembrane PAP2 type phosphatidylglycerolphosphate phosphatase from Bacillus subtilis | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative lipid phosphate phosphatase YodM, TUNGSTATE(VI)ION, ... | Authors: | El Ghachi, M, Howe, N, Lampion, A, Delbrassine, F, Vogeley, L, Caffrey, M, Sauvage, E, Auger, R, Guiseppe, A, Roure, S, Perlier, S, Mengin-lecreulx, D, Foglino, M, Touze, T. | Deposit date: | 2016-04-26 | Release date: | 2017-02-22 | Last modified: | 2017-05-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure and biochemical characterization of the transmembrane PAP2 type phosphatidylglycerol phosphate phosphatase from Bacillus subtilis. Cell. Mol. Life Sci., 74, 2017
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