8D1Q
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![BU of 8d1q by Molmil](/molmil-images/mine/8d1q) | Crystal structure of Plasmodium falciparum GRP78-NBD in complex with 8-Aminoadenosine | Descriptor: | (2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, Chaperone DnaK, SULFATE ION | Authors: | Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W. | Deposit date: | 2022-05-27 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues. Front Mol Biosci, 9, 2022
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2IE4
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![BU of 2ie4 by Molmil](/molmil-images/mine/2ie4) | Structure of the Protein Phosphatase 2A Core Enzyme Bound to okadaic acid | Descriptor: | MANGANESE (II) ION, OKADAIC ACID, Protein Phosphatase 2, ... | Authors: | Xing, Y, Xu, Y, Chen, Y, Jeffrey, P.D, Chao, Y, Shi, Y. | Deposit date: | 2006-09-17 | Release date: | 2006-11-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of Protein Phosphatase 2A Core Enzyme Bound to Tumor-Inducing Toxins Cell(Cambridge,Mass.), 127, 2006
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4NES
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![BU of 4nes by Molmil](/molmil-images/mine/4nes) | Crystal structure of Methanocaldococcus jannaschii UDP-GlcNAc 2-epimerase in complex with UDP-GlcNAc and UDP | Descriptor: | UDP-N-acetylglucosamine 2-epimerase, URIDINE-5'-DIPHOSPHATE, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | Authors: | Chen, S.C, Yang, C.S, Huang, C.H, Chen, Y. | Deposit date: | 2013-10-30 | Release date: | 2014-04-23 | Last modified: | 2015-06-17 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Crystal structures of the archaeal UDP-GlcNAc 2-epimerase from Methanocaldococcus jannaschii reveal a conformational change induced by UDP-GlcNAc. Proteins, 82, 2014
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2IE3
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![BU of 2ie3 by Molmil](/molmil-images/mine/2ie3) | Structure of the Protein Phosphatase 2A Core Enzyme Bound to Tumor-inducing Toxins | Descriptor: | MANGANESE (II) ION, Protein Phosphatase 2, regulatory subunit A (PR 65), ... | Authors: | Xing, Y, Xu, Y, Chen, Y, Jeffrey, P.D, Chao, Y, Shi, Y. | Deposit date: | 2006-09-17 | Release date: | 2006-11-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of Protein Phosphatase 2A Core Enzyme Bound to Tumor-Inducing Toxins Cell(Cambridge,Mass.), 127, 2006
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1ZKL
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![BU of 1zkl by Molmil](/molmil-images/mine/1zkl) | Multiple Determinants for Inhibitor Selectivity of Cyclic Nucleotide Phosphodiesterases | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, High-affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ... | Authors: | Wang, H, Liu, Y, Chen, Y, Robinson, H, Ke, H. | Deposit date: | 2005-05-03 | Release date: | 2005-07-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Multiple elements jointly determine inhibitor selectivity of cyclic nucleotide phosphodiesterases 4 and 7 J.Biol.Chem., 280, 2005
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4H9D
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![BU of 4h9d by Molmil](/molmil-images/mine/4h9d) | Crystal Structure of Mn-dependent Gme HNH nicking endonuclease from Geobacter metallireducens GS-15, Northeast Structural Genomics Consortium (NESG) Target GmR87 | Descriptor: | HNH endonuclease, MAGNESIUM ION, ZINC ION | Authors: | Kuzin, A, Chen, Y, Seetharaman, J, Fang, F, Xiao, R, Cunningham, K, Ma, L, Owens, L, Chen, C.X, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-09-24 | Release date: | 2012-10-10 | Method: | X-RAY DIFFRACTION (2.599 Å) | Cite: | Northeast Structural Genomics Consortium Target GmR87 To be Published
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6DFO
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![BU of 6dfo by Molmil](/molmil-images/mine/6dfo) | Crystal structure of human GRP78 in complex with 8-bromoadenosine | Descriptor: | 8-bromoadenosine, Endoplasmic reticulum chaperone BiP | Authors: | Ferrie, R.P, Chen, Y, Antoshchenko, T, Cooney, O.M, Huang, Y, Park, H.W. | Deposit date: | 2018-05-15 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Crystal structure of human GRP78 in complex with 8-bromoadenosine To be Published
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4NEQ
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![BU of 4neq by Molmil](/molmil-images/mine/4neq) | The structure of UDP-GlcNAc 2-epimerase from Methanocaldococcus jannaschii | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, UDP-N-acetylglucosamine 2-epimerase | Authors: | Chen, S.C, Yang, C.S, Huang, C.H, Chen, Y. | Deposit date: | 2013-10-29 | Release date: | 2014-04-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structures of the archaeal UDP-GlcNAc 2-epimerase from Methanocaldococcus jannaschii reveal a conformational change induced by UDP-GlcNAc. Proteins, 82, 2014
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3V36
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![BU of 3v36 by Molmil](/molmil-images/mine/3v36) | Aldose reductase complexed with glceraldehyde | Descriptor: | Aldose reductase, D-Glyceraldehyde, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Zheng, X, Zhang, L, Chen, Y, Luo, H, Hu, X. | Deposit date: | 2011-12-13 | Release date: | 2012-08-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Partial inhibition of aldose reductase by nitazoxanide and its molecular basis. Chemmedchem, 7, 2012
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2B34
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![BU of 2b34 by Molmil](/molmil-images/mine/2b34) | Structure of MAR1 Ribonuclease from Caenorhabditis elegans | Descriptor: | MAR1 Ribonuclease | Authors: | Schormann, N, Karpova, E, Li, S, Symersky, J, Zhang, Y, Lu, S, Zhou, Q, Lin, G, Cao, Z, Luo, M, Qiu, S, Luan, C.-H, Luo, D, Huang, W, Shang, Q, McKinstry, A, An, J, Tsao, J, Carson, M, Stinnett, M, Chen, Y, Johnson, D, Gary, R, Arabshahi, A, Bunzel, R, Bray, T, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2005-09-19 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.141 Å) | Cite: | Structure of MAR1 Ribonuclease from Caenorhabditis elegans To be Published
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3V35
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![BU of 3v35 by Molmil](/molmil-images/mine/3v35) | Aldose reductase complexed with a nitro compound | Descriptor: | 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate, Aldose reductase, DIMETHYLFORMAMIDE, ... | Authors: | Zheng, X, Zhang, L, Chen, Y, Luo, H, Hu, X. | Deposit date: | 2011-12-13 | Release date: | 2012-08-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Partial inhibition of aldose reductase by nitazoxanide and its molecular basis. Chemmedchem, 7, 2012
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7D4U
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![BU of 7d4u by Molmil](/molmil-images/mine/7d4u) | ATP complex with double mutant cyclic trinucleotide synthase CdnD | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclic AMP-AMP-GMP synthase | Authors: | Yang, C.-S, Hou, M.-H, Tsai, C.-L, Wang, Y.-C, Ko, T.-P, Chen, Y. | Deposit date: | 2020-09-24 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure and functional implication of a bacterial cyclic AMP-AMP-GMP synthetase. Nucleic Acids Res., 49, 2021
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7D4S
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![BU of 7d4s by Molmil](/molmil-images/mine/7d4s) | apo-form cyclic trinucleotide synthase CdnD | Descriptor: | Cyclic AMP-AMP-GMP synthase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION | Authors: | Yang, C.-S, Hou, M.-H, Tsai, C.-L, Wang, Y.-C, Ko, T.-P, Chen, Y. | Deposit date: | 2020-09-24 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure and functional implication of a bacterial cyclic AMP-AMP-GMP synthetase. Nucleic Acids Res., 49, 2021
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7D4O
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![BU of 7d4o by Molmil](/molmil-images/mine/7d4o) | cyclic trinucleotide synthase CdnD in complex with ATP and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cyclic AMP-AMP-GMP synthase, ... | Authors: | Yang, C.-S, Hou, M.-H, Tsai, C.-L, Wang, Y.-C, Ko, T.-P, Chen, Y. | Deposit date: | 2020-09-24 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure and functional implication of a bacterial cyclic AMP-AMP-GMP synthetase. Nucleic Acids Res., 49, 2021
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7D48
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![BU of 7d48 by Molmil](/molmil-images/mine/7d48) | apo-form cyclic trinucleotide synthase CdnD | Descriptor: | Cyclic AMP-AMP-GMP synthase, SODIUM ION | Authors: | Yang, C.-S, Hou, M.-H, Tsai, C.-L, Wang, Y.-C, Ko, T.-P, Chen, Y. | Deposit date: | 2020-09-23 | Release date: | 2021-03-17 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure and functional implication of a bacterial cyclic AMP-AMP-GMP synthetase. Nucleic Acids Res., 49, 2021
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7D4J
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![BU of 7d4j by Molmil](/molmil-images/mine/7d4j) | ddATP complex of cyclic trinucleotide synthase CdnD | Descriptor: | 2',3'-dideoxyadenosine triphosphate, Cyclic AMP-AMP-GMP synthase, MAGNESIUM ION | Authors: | Yang, C.-S, Hou, M.-H, Tsai, C.-L, Wang, Y.-C, Ko, T.-P, Chen, Y. | Deposit date: | 2020-09-24 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structure and functional implication of a bacterial cyclic AMP-AMP-GMP synthetase. Nucleic Acids Res., 49, 2021
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1RYU
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![BU of 1ryu by Molmil](/molmil-images/mine/1ryu) | Solution Structure of the SWI1 ARID | Descriptor: | SWI/SNF-related, matrix-associated, actin-dependent regulator of chromatin subfamily F member 1 | Authors: | Kim, S, Zhang, Z, Upchurch, S, Isern, N, Chen, Y. | Deposit date: | 2003-12-22 | Release date: | 2004-05-25 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure and DNA-binding sites of the SWI1 AT-rich interaction domain (ARID) suggest determinants for sequence-specific DNA recognition. J.Biol.Chem., 279, 2004
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1TZ9
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![BU of 1tz9 by Molmil](/molmil-images/mine/1tz9) | Crystal Structure of the Putative Mannonate Dehydratase from Enterococcus faecalis, Northeast Structural Genomics Target EfR41 | Descriptor: | Mannonate dehydratase | Authors: | Forouhar, F, Chen, Y, Xiao, R, Cooper, B, Shastry, R, Acton, T.A, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-07-09 | Release date: | 2004-07-20 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of the Putative Mannonate Dehydratase from Enterococcus faecalis, Northeast Structural Genomics Target EfR41 To be Published
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1U9C
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![BU of 1u9c by Molmil](/molmil-images/mine/1u9c) | Crystallographic structure of APC35852 | Descriptor: | APC35852 | Authors: | Borek, D, Chen, Y, Shao, D, Collart, F, Joachimiak, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-08-09 | Release date: | 2004-10-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural analysis of DJI superfamily To be Published
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4YNL
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![BU of 4ynl by Molmil](/molmil-images/mine/4ynl) | Crystal structure of the hood domain of Anabaena HetR in complex with the hexapeptide ERGSGR derived from PatS | Descriptor: | Heterocyst differentiation control protein, Heterocyst inhibition-signaling peptide | Authors: | Hu, H.X, Jiang, Y.L, Zhao, M.X, Zhang, C.C, Chen, Y, Zhou, C.Z. | Deposit date: | 2015-03-10 | Release date: | 2015-12-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insights into HetR-PatS interaction involved in cyanobacterial pattern formation Sci Rep, 5, 2015
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4YRV
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![BU of 4yrv by Molmil](/molmil-images/mine/4yrv) | Crystal structure of Anabaena transcription factor HetR complexed with 21-bp DNA from hetP promoter | Descriptor: | CALCIUM ION, DNA (5'-D(P*AP*TP*GP*AP*GP*GP*GP*GP*TP*TP*AP*GP*AP*CP*CP*CP*CP*TP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*GP*GP*GP*GP*TP*CP*TP*AP*AP*CP*CP*CP*CP*TP*CP*AP*T)-3'), ... | Authors: | Hu, H.X, Jiang, Y.L, Zhao, M.X, Zhang, C.C, Chen, Y, Zhou, C.Z. | Deposit date: | 2015-03-16 | Release date: | 2015-12-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into HetR-PatS interaction involved in cyanobacterial pattern formation Sci Rep, 5, 2015
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1R78
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![BU of 1r78 by Molmil](/molmil-images/mine/1r78) | CDK2 complex with a 4-alkynyl oxindole inhibitor | Descriptor: | 4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-HEX-1-YNYL)-5-FLUORO-3-[1-(3-METHOXY-1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE, Cell division protein kinase 2 | Authors: | Luk, K.-C, Simcox, M.E, Schutt, A, Rowan, K, Thompson, T, Chen, Y, Kammlott, U, DePinto, W, Dunten, P, Dermatakis, A. | Deposit date: | 2003-10-20 | Release date: | 2004-01-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A new series of potent oxindole inhibitors of CDK2 Bioorg.Med.Chem.Lett., 14, 2004
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1T3H
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![BU of 1t3h by Molmil](/molmil-images/mine/1t3h) | X-ray Structure of Dephospho-CoA Kinase from E. coli Norteast Structural Genomics Consortium Target ER57 | Descriptor: | Dephospho-CoA kinase, SULFATE ION | Authors: | Kuzin, A.P, Chen, Y, Forouhar, F, Edstrom, W, Benach, J, Vorobiev, S, Acton, T, Shastry, R, Ma, L.-C, Xia, R, Montelione, G, Tong, L, Hunt, J, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-04-26 | Release date: | 2004-05-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray Structure of Dephospho-CoA Kinase from E. coli
Norteast Structural Genomics Consortium Target ER57 TO BE PUBLISHED
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1T0T
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![BU of 1t0t by Molmil](/molmil-images/mine/1t0t) | Crystallographic structure of a putative chlorite dismutase | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, APC35880, MAGNESIUM ION | Authors: | Gilski, M, Borek, D, Chen, Y, Collart, F, Joachimiak, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-04-12 | Release date: | 2004-08-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of APC35880 protein from Bacillus Stearothermophilus To be Published
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1SQH
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![BU of 1sqh by Molmil](/molmil-images/mine/1sqh) | X-RAY STRUCTURE OF DROSOPHILA MALONOGASTER PROTEIN Q9VR51 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET FR87. | Descriptor: | hypothetical protein CG14615-PA | Authors: | Kuzin, A.P, Chen, Y, Forouhar, F, Acton, T.B, Xiao, R, Cooper, B, Ho, C.K, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-03-18 | Release date: | 2004-04-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-RAY STRUCTURE OF DROSOPHILA MALONOGASTER PROTEIN Q9VR51 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET FR87 To be Published
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