1SPX
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![BU of 1spx by Molmil](/molmil-images/mine/1spx) | Crystal Structure of Glucose Dehydrogenase of Caenorhabditis Elegans in the Apo-Form | Descriptor: | short-chain reductase family member (5L265) | Authors: | Schormann, N, Zhou, J, McCombs, D, Bray, T, Symersky, J, Huang, W.-Y, Luan, C.-H, Gray, R, Luo, D, Arabashi, A, Bunzel, B, Nagy, L, Lu, S, Li, S, Lin, G, Zhang, Y, Qiu, S, Tsao, J, Luo, M, Carson, M, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-03-17 | Release date: | 2004-03-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Glucose Dehydrogenase of Caenorhabditis Elegans in the Apo-Form: A Member of the SDR-Family To be Published
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7O6E
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![BU of 7o6e by Molmil](/molmil-images/mine/7o6e) | 2.12 A cryo-EM structure of Mycobacterium tuberculosis Ferritin | Descriptor: | Ferritin BfrB | Authors: | Gijsbers, A, Zhang, Y, Gao, Y, Peters, P.J, Ravelli, R.B.G. | Deposit date: | 2021-04-10 | Release date: | 2021-05-19 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | Mycobacterium tuberculosis ferritin: a suitable workhorse protein for cryo-EM development. Acta Crystallogr D Struct Biol, 77, 2021
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4NFC
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![BU of 4nfc by Molmil](/molmil-images/mine/4nfc) | Structure of paired immunoglobulin-like type 2 receptor (PILR ) | Descriptor: | Paired immunoglobulin-like type 2 receptor beta | Authors: | Lu, Q, Lu, G, Qi, J, Li, Y, Zhang, Y, Wang, H, Fan, Z, Yan, J, Gao, G.F. | Deposit date: | 2013-10-31 | Release date: | 2014-05-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | PILR alpha and PILR beta have a siglec fold and provide the basis of binding to sialic acid Proc.Natl.Acad.Sci.USA, 111, 2014
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4NFD
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![BU of 4nfd by Molmil](/molmil-images/mine/4nfd) | Structure of PILR L108W mutant in complex with sialic acid | Descriptor: | N-acetyl-alpha-neuraminic acid, Paired immunoglobulin-like type 2 receptor beta | Authors: | Lu, Q, Lu, G, Qi, J, Li, Y, Zhang, Y, Wang, H, Fan, Z, Yan, J, Gao, G.F. | Deposit date: | 2013-10-31 | Release date: | 2014-05-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.708 Å) | Cite: | PILR alpha and PILR beta have a siglec fold and provide the basis of binding to sialic acid Proc.Natl.Acad.Sci.USA, 111, 2014
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4N1Z
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![BU of 4n1z by Molmil](/molmil-images/mine/4n1z) | Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1222 | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Liu, Y.L, Xia, Y, Zhang, Y, Verma, I, Oldfield, E. | Deposit date: | 2013-10-04 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A combination therapy for KRAS-driven lung adenocarcinomas using lipophilic bisphosphonates and rapamycin. Sci Transl Med, 6, 2014
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4NFB
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![BU of 4nfb by Molmil](/molmil-images/mine/4nfb) | Structure of paired immunoglobulin-like type 2 receptor (PILR ) | Descriptor: | Paired immunoglobulin-like type 2 receptor alpha | Authors: | Lu, Q, Lu, G, Qi, J, Li, Y, Zhang, Y, Wang, H, Fan, Z, Yan, J, Gao, G. | Deposit date: | 2013-10-31 | Release date: | 2014-05-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | PILR alpha and PILR beta have a siglec fold and provide the basis of binding to sialic acid Proc.Natl.Acad.Sci.USA, 111, 2014
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5Y93
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![BU of 5y93 by Molmil](/molmil-images/mine/5y93) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-22 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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5Y8W
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![BU of 5y8w by Molmil](/molmil-images/mine/5y8w) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-21 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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5Y94
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![BU of 5y94 by Molmil](/molmil-images/mine/5y94) | Crystal Structure Analysis of the BRD4 | Descriptor: | 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide, Bromodomain-containing protein 4, GLYCEROL, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-22 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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3ORW
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![BU of 3orw by Molmil](/molmil-images/mine/3orw) | Crystal structure of thermophilic phosphotriesterase from Geobacillus kaustophilus HTA426 | Descriptor: | COBALT (II) ION, Phosphotriesterase | Authors: | Zheng, B.S, Yu, S.S, Zhang, Y, Lou, Z.Y, Feng, Y. | Deposit date: | 2010-09-07 | Release date: | 2011-09-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of thermophilic phosphotriesterase from Geobacillus kaustophilus HTA426 To be Published
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5Y8Z
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![BU of 5y8z by Molmil](/molmil-images/mine/5y8z) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-22 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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5Y8C
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![BU of 5y8c by Molmil](/molmil-images/mine/5y8c) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-21 | Release date: | 2018-06-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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5YMR
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![BU of 5ymr by Molmil](/molmil-images/mine/5ymr) | The Crystal Structure of IseG | Descriptor: | 2-hydroxyethylsulfonic acid, Formate acetyltransferase, GLYCEROL | Authors: | Lin, L, Zhang, J, Xing, M, Hua, G, Guo, C, Hu, Y, Wei, Y, Ang, E, Zhao, H, Zhang, Y, Yuchi, Z. | Deposit date: | 2017-10-22 | Release date: | 2019-03-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Radical-mediated C-S bond cleavage in C2 sulfonate degradation by anaerobic bacteria. Nat Commun, 10, 2019
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7V1N
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![BU of 7v1n by Molmil](/molmil-images/mine/7v1n) | Structure of the Clade 2 C. difficile TcdB in complex with its receptor TFPI | Descriptor: | Isoform Beta of Tissue factor pathway inhibitor, Toxin B | Authors: | Luo, J, Yang, Q, Zhang, X, Zhang, Y, Wan, L, Li, Y, Tao, L. | Deposit date: | 2021-08-05 | Release date: | 2022-02-23 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | TFPI is a colonic crypt receptor for TcdB from hypervirulent clade 2 C. difficile. Cell, 185, 2022
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3QH2
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![BU of 3qh2 by Molmil](/molmil-images/mine/3qh2) | Crystal structure of TenI from Bacillus subtilis complexed with product cThz-P | Descriptor: | 4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid, Regulatory protein tenI, SULFATE ION | Authors: | Han, Y, Zhang, Y, Hazra, A, Chatterjee, A, Lai, R, Begley, T.P, Ealick, S.E. | Deposit date: | 2011-01-25 | Release date: | 2011-05-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.231 Å) | Cite: | A Missing Enzyme in Thiamin Thiazole Biosynthesis: Identification of TenI as a Thiazole Tautomerase. J.Am.Chem.Soc., 133, 2011
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3KHS
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![BU of 3khs by Molmil](/molmil-images/mine/3khs) | Crystal structure of grouper iridovirus purine nucleoside phosphorylase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, Purine nucleoside phosphorylase | Authors: | Kang, Y.N, Zhang, Y, Allan, P.W, Parker, W.B, Ting, J.W, Chang, C.Y, Ealick, S.E. | Deposit date: | 2009-10-30 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structure of grouper iridovirus purine nucleoside phosphorylase Acta Crystallogr.,Sect.D, 66, 2010
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3KPK
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![BU of 3kpk by Molmil](/molmil-images/mine/3kpk) | Crystal structure of sulfide:quinone oxidoreductase from Acidithiobacillus ferrooxidans, C160A mutant | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, HYDROSULFURIC ACID, ... | Authors: | Cherney, M.M, Zhang, Y, Solomonson, M, Weiner, J.H, James, M.N.G. | Deposit date: | 2009-11-16 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of sulfide:quinone oxidoreductase from Acidithiobacillus ferrooxidans: insights into sulfidotrophic respiration and detoxification. J.Mol.Biol., 398, 2010
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5X5F
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![BU of 5x5f by Molmil](/molmil-images/mine/5x5f) | Prefusion structure of MERS-CoV spike glycoprotein, conformation 2 | Descriptor: | S protein | Authors: | Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F. | Deposit date: | 2017-02-15 | Release date: | 2017-05-03 | Last modified: | 2017-05-24 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains Nat Commun, 8, 2017
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7N4W
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![BU of 7n4w by Molmil](/molmil-images/mine/7n4w) | Complex structure of ROTU4 with rotundine | Descriptor: | GLYCEROL, ROTU4, SULFATE ION, ... | Authors: | Kim, W, Zhang, Y. | Deposit date: | 2021-06-04 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Using fungible biosensors to evolve improved alkaloid biosyntheses. Nat.Chem.Biol., 18, 2022
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5YQX
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![BU of 5yqx by Molmil](/molmil-images/mine/5yqx) | Crystal Structure Analysis of the BRD4 | Descriptor: | (2R)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-1,4-benzoxazin-3-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | Authors: | Xue, X, Zhang, Y, Wang, C, Song, M. | Deposit date: | 2017-11-08 | Release date: | 2018-11-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer. Eur.J.Med.Chem., 152, 2018
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4Z6G
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![BU of 4z6g by Molmil](/molmil-images/mine/4z6g) | Structure of NT domain | Descriptor: | Microtubule-actin cross-linking factor 1, isoforms 1/2/3/5, PHOSPHATE ION | Authors: | Yang, F, Zhang, Y. | Deposit date: | 2015-04-05 | Release date: | 2016-04-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.654 Å) | Cite: | In vivo epidermal migration requires focal adhesion targeting of ACF7. Nat Commun, 7, 2016
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4N2K
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![BU of 4n2k by Molmil](/molmil-images/mine/4n2k) | Crystal structure of Protein Arginine Deiminase 2 (Q350A, 0 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-05 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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4N2H
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![BU of 4n2h by Molmil](/molmil-images/mine/4n2h) | Crystal structure of Protein Arginine Deiminase 2 (D177A, 0 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Protein-arginine deiminase type-2 | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.808 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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4N20
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![BU of 4n20 by Molmil](/molmil-images/mine/4n20) | Crystal structure of Protein Arginine Deiminase 2 (0 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.657 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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5LNT
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![BU of 5lnt by Molmil](/molmil-images/mine/5lnt) | Crystal structure of Arabidopsis thaliana Pdx1K166R-preI320 complex | Descriptor: | PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.1, [(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate | Authors: | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | Deposit date: | 2016-08-06 | Release date: | 2017-01-18 | Last modified: | 2017-02-22 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis. Nat. Chem. Biol., 13, 2017
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