5OJR
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![BU of 5ojr by Molmil](/molmil-images/mine/5ojr) | YCF48 bound to D1 peptide | Descriptor: | Photosystem II protein D1 3, Ycf48-like protein | Authors: | Michoux, F, Nixon, P.J, Murray, J.W, Bialek, W, Thieulin-Pardo, G. | Deposit date: | 2017-07-23 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Ycf48 involved in the biogenesis of the oxygen-evolving photosystem II complex is a seven-bladed beta-propeller protein. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5O4X
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![BU of 5o4x by Molmil](/molmil-images/mine/5o4x) | Protein structure determination by electron diffraction using a single three-dimensional nanocrystal | Descriptor: | Lysozyme C | Authors: | Clabbers, M.T.B, van Genderen, E, Wan, W, Wiegers, E.L, Gruene, T, Abrahams, J.P. | Deposit date: | 2017-05-31 | Release date: | 2017-08-23 | Last modified: | 2024-01-17 | Method: | ELECTRON CRYSTALLOGRAPHY (2.11 Å) | Cite: | Protein structure determination by electron diffraction using a single three-dimensional nanocrystal. Acta Crystallogr D Struct Biol, 73, 2017
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5O16
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![BU of 5o16 by Molmil](/molmil-images/mine/5o16) | Crystal structure of bifunctional dehydratase-cyclase domain in ambruticin biosynthesis | Descriptor: | AmbC, SULFATE ION | Authors: | Sung, K.H, Berkhan, G, Hollmann, T, Wagner, L, Hahn, F, Blankenfeldt, W. | Deposit date: | 2017-05-18 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.745 Å) | Cite: | Insights into the Dual Activity of a Bifunctional Dehydratase-Cyclase Domain. Angew. Chem. Int. Ed. Engl., 57, 2018
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5O51
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![BU of 5o51 by Molmil](/molmil-images/mine/5o51) | AfRom2 CNH domain | Descriptor: | Rho guanyl nucleotide exchange factor (Rom2), putative | Authors: | Wei, W, van Aalten, D. | Deposit date: | 2017-05-31 | Release date: | 2018-06-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Rom2 CNH domain from Aspergillus fumigatus is an atypical seven-bladed WD-40 protein To Be Published
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5O9Q
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![BU of 5o9q by Molmil](/molmil-images/mine/5o9q) | Crystal structure of ScGas2 in complex with compound 6 | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(phenylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,3-beta-glucanosyltransferase GAS2, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | Authors: | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | Deposit date: | 2017-06-20 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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2PKC
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![BU of 2pkc by Molmil](/molmil-images/mine/2pkc) | CRYSTAL STRUCTURE OF CALCIUM-FREE PROTEINASE K AT 1.5 ANGSTROMS RESOLUTION | Descriptor: | PROTEINASE K, SODIUM ION | Authors: | Mueller, A, Hinrichs, W, Wolf, W.M, Saenger, W. | Deposit date: | 1993-06-04 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of calcium-free proteinase K at 1.5-A resolution. J.Biol.Chem., 269, 1994
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5OA2
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![BU of 5oa2 by Molmil](/molmil-images/mine/5oa2) | Crystal structure of ScGas2 in complex with compound 8 | Descriptor: | 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, SULFATE ION, ... | Authors: | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | Deposit date: | 2017-06-20 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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4ZA1
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![BU of 4za1 by Molmil](/molmil-images/mine/4za1) | Crystal Structure of NosA Involved in Nosiheptide Biosynthesis | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, NosA | Authors: | Liu, S, Guo, H, Zhang, T, Han, L, Yao, P, Zhang, Y, Rong, N, Yu, Y, Lan, W, Wang, C, Ding, J, Wang, R, Liu, W, Cao, C. | Deposit date: | 2015-04-13 | Release date: | 2015-08-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based Mechanistic Insights into Terminal Amide Synthase in Nosiheptide-Represented Thiopeptides Biosynthesis Sci Rep, 5, 2015
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5U5H
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![BU of 5u5h by Molmil](/molmil-images/mine/5u5h) | Crystal structure of EED in complex with 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine | Descriptor: | (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Polycomb protein EED | Authors: | Bussiere, D, Shu, W. | Deposit date: | 2016-12-06 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase. J. Med. Chem., 60, 2017
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5O9R
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![BU of 5o9r by Molmil](/molmil-images/mine/5o9r) | Crystal structure of ScGas2 in complex with compound 9 | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(thiophen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ... | Authors: | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | Deposit date: | 2017-06-20 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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5O9P
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![BU of 5o9p by Molmil](/molmil-images/mine/5o9p) | Crystal structure of Gas2 in complex with compound 10 | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(pyridin-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2 | Authors: | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | Deposit date: | 2017-06-19 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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5OL2
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![BU of 5ol2 by Molmil](/molmil-images/mine/5ol2) | The electron transferring flavoprotein/butyryl-CoA dehydrogenase complex from Clostridium difficile | Descriptor: | Acyl-CoA dehydrogenase, CALCIUM ION, COENZYME A PERSULFIDE, ... | Authors: | Demmer, J.K, Chowdhury, N.P, Selmer, T, Ermler, U, Buckel, W. | Deposit date: | 2017-07-26 | Release date: | 2017-11-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The semiquinone swing in the bifurcating electron transferring flavoprotein/butyryl-CoA dehydrogenase complex from Clostridium difficile. Nat Commun, 8, 2017
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1XSR
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![BU of 1xsr by Molmil](/molmil-images/mine/1xsr) | X-Ray structure of Northeast Structural Genomics Consortium target SfR7 | Descriptor: | Ureidoglycolate hydrolase | Authors: | Kuzin, A.P, Vorobiev, S.M, Edstrom, W, Yong, W, Acton, T, Ma, L.-C, Xiao, R, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-10-19 | Release date: | 2004-10-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-Ray structure of Northeast
Structural Genomics Consortium target SfR7 To be Published
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1XI3
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![BU of 1xi3 by Molmil](/molmil-images/mine/1xi3) | Thiamine phosphate pyrophosphorylase from Pyrococcus furiosus Pfu-1255191-001 | Descriptor: | NICKEL (II) ION, SULFATE ION, Thiamine phosphate pyrophosphorylase, ... | Authors: | Zhou, W, Chen, L, Tempel, W, Liu, Z.-J, Habel, J, Lee, D, Lin, D, Chang, S.-H, Dillard, B.D, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Kelley, L.-L.C, Lee, H.-S, Li, T, Poole II, F.L, Shah, C, Sugar, F.J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Rose, J.P, Adams, M.W.W, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-09-21 | Release date: | 2004-09-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Thiamine phosphate pyrophosphorylase from Pyrococcus furiosus Pfu-1255191-001 To be published
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5ED9
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![BU of 5ed9 by Molmil](/molmil-images/mine/5ed9) | Crystal structure of CC1 of mouse SUN2 | Descriptor: | SUN domain-containing protein 2 | Authors: | Nie, S, Ke, H.M, Gao, F, Ren, J.Q, Wang, M.Z, Huo, L, Gong, W.M, Feng, W. | Deposit date: | 2015-10-21 | Release date: | 2016-01-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.009 Å) | Cite: | Coiled-Coil Domains of SUN Proteins as Intrinsic Dynamic Regulators Structure, 24, 2016
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1XI9
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![BU of 1xi9 by Molmil](/molmil-images/mine/1xi9) | Alanine aminotransferase from Pyrococcus furiosus Pfu-1397077-001 | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, putative transaminase | Authors: | Zhou, W, Tempel, W, Shah, A, Chen, L, Liu, Z.-J, Lee, D, Lin, D, Chang, S.-H, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Lee, H.-S, Poole II, F.L, Shah, C, Sugar, F.J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Rose, J.P, Adams, M.W.W, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-09-21 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Alanine aminotransferase from Pyrococcus furiosus Pfu-1397077-001 To be published
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5B25
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![BU of 5b25 by Molmil](/molmil-images/mine/5b25) | Crystal structure of human PDE1B with inhibitor 3 | Descriptor: | (11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, GLYCEROL, ... | Authors: | Ida, K, Lane, W, Snell, G, Sogabe, S. | Deposit date: | 2016-01-07 | Release date: | 2016-02-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Potent and Selective Inhibitors of Phosphodiesterase 1 for the Treatment of Cognitive Impairment Associated with Neurodegenerative and Neuropsychiatric Diseases J.Med.Chem., 59, 2016
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5L2W
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![BU of 5l2w by Molmil](/molmil-images/mine/5l2w) | The X-ray co-crystal structure of human CDK2/CyclinE and Dinaciclib. | Descriptor: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1, ... | Authors: | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | Deposit date: | 2016-08-02 | Release date: | 2016-08-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance. Mol.Cancer Ther., 15, 2016
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5L2T
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![BU of 5l2t by Molmil](/molmil-images/mine/5l2t) | The X-ray co-crystal structure of human CDK6 and Ribociclib. | Descriptor: | 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-dependent kinase 6 | Authors: | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | Deposit date: | 2016-08-02 | Release date: | 2016-08-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance. Mol.Cancer Ther., 15, 2016
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2A4K
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![BU of 2a4k by Molmil](/molmil-images/mine/2a4k) | 3-Oxoacyl-[acyl carrier protein] reductase from Thermus thermophilus TT0137 | Descriptor: | 3-oxoacyl-[acyl carrier protein] reductase, UNKNOWN ATOM OR ION | Authors: | Zhou, W, Ebihara, A, Tempel, W, Yokoyama, S, Chen, L, Kuramitsu, S, Nguyen, J, Chang, S.-H, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-06-29 | Release date: | 2006-01-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | 3-Oxoacyl-[acyl carrier protein] reductase from Thermus thermophilus TT0137 To be Published
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2ADZ
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![BU of 2adz by Molmil](/molmil-images/mine/2adz) | solution structure of the joined PH domain of alpha1-syntrophin | Descriptor: | Alpha-1-syntrophin | Authors: | Yan, J, Wen, W, Xu, W, Long, J.F, Adams, M.E, Froehner, S.C, Zhang, M. | Deposit date: | 2005-07-21 | Release date: | 2006-01-24 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the split PH domain and distinct lipid-binding properties of the PH-PDZ supramodule of alpha-syntrophin Embo J., 24, 2005
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1CEW
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![BU of 1cew by Molmil](/molmil-images/mine/1cew) | |
2CGA
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![BU of 2cga by Molmil](/molmil-images/mine/2cga) | |
5A9Q
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![BU of 5a9q by Molmil](/molmil-images/mine/5a9q) | Human nuclear pore complex | Descriptor: | NUCLEAR PORE COMPLEX PROTEIN NUP107, NUCLEAR PORE COMPLEX PROTEIN NUP133, NUCLEAR PORE COMPLEX PROTEIN NUP155, ... | Authors: | von Appen, A, Kosinski, J, Sparks, L, Ori, A, DiGuilio, A, Vollmer, B, Mackmull, M, Banterle, N, Parca, L, Kastritis, P, Buczak, K, Mosalaganti, S, Hagen, W, Andres-Pons, A, Lemke, E.A, Bork, P, Antonin, W, Glavy, J.S, Bui, K.H, Beck, M. | Deposit date: | 2015-07-22 | Release date: | 2015-09-30 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (23 Å) | Cite: | In Situ Structural Analysis of the Human Nuclear Pore Complex Nature, 526, 2015
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2ANK
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![BU of 2ank by Molmil](/molmil-images/mine/2ank) | orally active thrombin inhibitors in complex with thrombin and an exosite decapeptide | Descriptor: | N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE, Thrombin heavy chain, Thrombin light chain, ... | Authors: | Lange, U.E.W, Baucke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. | Deposit date: | 2005-08-11 | Release date: | 2006-11-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety BIOORG.MED.CHEM.LETT., 16, 2006
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