5H0U
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![BU of 5h0u by Molmil](/molmil-images/mine/5h0u) | Crystal structure of the catalytic domain of membrane type 1 matrix metalloproteinase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Ogata, H, Decaneto, E, Lubitz, W. | Deposit date: | 2016-10-07 | Release date: | 2017-10-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.239 Å) | Cite: | Solvent water interactions within the active site of the membrane type I matrix metalloproteinase. Phys Chem Chem Phys, 19, 2017
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5ZMW
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![BU of 5zmw by Molmil](/molmil-images/mine/5zmw) | Crystal structure of the E309Q mutant of SR Ca2+-ATPase in E2(TG) | Descriptor: | DECYL-BETA-D-MALTOPYRANOSIDE, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ... | Authors: | Ogawa, H, Hirata, A, Tsueda, J, Toyoshima, C. | Deposit date: | 2018-04-06 | Release date: | 2019-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism of the E2 to E1 transition in Ca2+pump revealed by crystal structures of gating residue mutants. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5H5Q
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![BU of 5h5q by Molmil](/molmil-images/mine/5h5q) | Crystal structure of human GPX4 in complex with GXpep-1 | Descriptor: | GLYCEROL, GXpep-1, Phospholipid hydroperoxide glutathione peroxidase, ... | Authors: | Sogabe, S, Kadotani, A, Lane, W, Snell, G. | Deposit date: | 2016-11-09 | Release date: | 2016-12-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis Biochem. Biophys. Res. Commun., 482, 2017
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5H7H
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![BU of 5h7h by Molmil](/molmil-images/mine/5h7h) | Crystal structure of the BCL6 BTB domain in complex with F1324(10-13) | Descriptor: | 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, F1324 peptide residues 10-13 | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | Deposit date: | 2016-11-18 | Release date: | 2016-12-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of high-affinity BCL6-binding peptide and its structure-activity relationship. Biochem. Biophys. Res. Commun., 482, 2017
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5ZMV
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![BU of 5zmv by Molmil](/molmil-images/mine/5zmv) | Crystal structure of the E309A mutant of SR Ca2+-ATPase in E2(TG) | Descriptor: | OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, ... | Authors: | Ogawa, H, Hirata, A, Tsueda, J, Toyoshima, C. | Deposit date: | 2018-04-06 | Release date: | 2018-12-12 | Last modified: | 2018-12-26 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Mechanism of the E2 to E1 transition in Ca2+pump revealed by crystal structures of gating residue mutants. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4XI2
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![BU of 4xi2 by Molmil](/molmil-images/mine/4xi2) | |
5ZUN
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![BU of 5zun by Molmil](/molmil-images/mine/5zun) | Crystal structure of human monoacylglycerol lipase in complex with compound 3l | Descriptor: | (4R)-1-(2'-chloro[1,1'-biphenyl]-3-yl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Sogabe, S, Zama, Y, Lane, W, Snell, G. | Deposit date: | 2018-05-08 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Design, Synthesis, and Evaluation of Piperazinyl Pyrrolidin-2-ones as a Novel Series of Reversible Monoacylglycerol Lipase Inhibitors J. Med. Chem., 61, 2018
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5H7G
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![BU of 5h7g by Molmil](/molmil-images/mine/5h7g) | Crystal structure of the BCL6 BTB domain in complex with F1324 | Descriptor: | B-cell lymphoma 6 protein, F1324 peptide, SULFATE ION | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | Deposit date: | 2016-11-18 | Release date: | 2016-12-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of high-affinity BCL6-binding peptide and its structure-activity relationship. Biochem. Biophys. Res. Commun., 482, 2017
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5X4Q
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![BU of 5x4q by Molmil](/molmil-images/mine/5x4q) | Crystal structure of the BCL6 BTB domain in complex with Compound 7 | Descriptor: | 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein, ... | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | Deposit date: | 2017-02-13 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach J. Med. Chem., 60, 2017
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5X4M
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![BU of 5x4m by Molmil](/molmil-images/mine/5x4m) | Crystal structure of the BCL6 BTB domain in complex with Compound 1 | Descriptor: | B-cell lymphoma 6 protein, N-phenyl-1,3,5-triazine-2,4-diamine | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | Deposit date: | 2017-02-13 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach J. Med. Chem., 60, 2017
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5H5R
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![BU of 5h5r by Molmil](/molmil-images/mine/5h5r) | Crystal structure of human GPX4 in complex with GXpep-2 | Descriptor: | GLYCEROL, GXpep-2, Phospholipid hydroperoxide glutathione peroxidase, ... | Authors: | Sogabe, S, Kadotani, A, Lane, W, Snell, G. | Deposit date: | 2016-11-09 | Release date: | 2016-12-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis Biochem. Biophys. Res. Commun., 482, 2017
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5X9P
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![BU of 5x9p by Molmil](/molmil-images/mine/5x9p) | Crystal structure of the BCL6 BTB domain in complex with Compound 5 | Descriptor: | 3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid, B-cell lymphoma 6 protein | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | Deposit date: | 2017-03-08 | Release date: | 2017-08-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design Bioorg. Med. Chem., 25, 2017
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5H5S
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![BU of 5h5s by Molmil](/molmil-images/mine/5h5s) | Crystal structure of human GPX4 in complex with GXpep-3 | Descriptor: | GLYCEROL, GXpep-3, Phospholipid hydroperoxide glutathione peroxidase, ... | Authors: | Sogabe, S, Kadotani, A, Lane, W, Snell, G. | Deposit date: | 2016-11-09 | Release date: | 2016-12-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis Biochem. Biophys. Res. Commun., 482, 2017
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7DDF
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![BU of 7ddf by Molmil](/molmil-images/mine/7ddf) | Crystal structures of Na+,K+-ATPase in complex with beryllium fluoride | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ogawa, H, Cornelius, F, Kanai, R, Motoyama, K, Vilsen, B, Toyoshima, C. | Deposit date: | 2020-10-29 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (4.62 Å) | Cite: | Binding of cardiotonic steroids to Na + ,K + -ATPase in the E2P state. Proc.Natl.Acad.Sci.USA, 118, 2021
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7DDH
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![BU of 7ddh by Molmil](/molmil-images/mine/7ddh) | Crystal structures of Na+,K+-ATPase in complex with digoxin | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ogawa, H, Cornelius, F, Kanai, R, Motoyama, K, Vilsen, B, Toyoshima, C. | Deposit date: | 2020-10-29 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.46 Å) | Cite: | Binding of cardiotonic steroids to Na + ,K + -ATPase in the E2P state. Proc.Natl.Acad.Sci.USA, 118, 2021
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7DDL
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![BU of 7ddl by Molmil](/molmil-images/mine/7ddl) | Crystal structures of Na+,K+-ATPase in complex with bufalin | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ogawa, H, Cornelius, F, Kanai, R, Motoyama, K, Vilsen, B, Toyoshima, C. | Deposit date: | 2020-10-29 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Binding of cardiotonic steroids to Na + ,K + -ATPase in the E2P state. Proc.Natl.Acad.Sci.USA, 118, 2021
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5X9O
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![BU of 5x9o by Molmil](/molmil-images/mine/5x9o) | Crystal structure of the BCL6 BTB domain in complex with Compound 1a | Descriptor: | 1,2-ETHANEDIOL, 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one, B-cell lymphoma 6 protein, ... | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | Deposit date: | 2017-03-08 | Release date: | 2017-08-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design Bioorg. Med. Chem., 25, 2017
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5X4O
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![BU of 5x4o by Molmil](/molmil-images/mine/5x4o) | Crystal structure of the BCL6 BTB domain in complex with Compound 5 | Descriptor: | B-cell lymphoma 6 protein, N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | Deposit date: | 2017-02-13 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach J. Med. Chem., 60, 2017
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6AI2
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![BU of 6ai2 by Molmil](/molmil-images/mine/6ai2) | |
6AI1
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![BU of 6ai1 by Molmil](/molmil-images/mine/6ai1) | |
6AGT
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![BU of 6agt by Molmil](/molmil-images/mine/6agt) | Crystal structure of PfKRS complexed with chromone inhibitor | Descriptor: | COBALT (II) ION, FORMIC ACID, LYSINE, ... | Authors: | Yogavel, M, Sharma, A, Sharma, A, Baragana, B, Walpole, C. | Deposit date: | 2018-08-14 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.953 Å) | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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2G36
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![BU of 2g36 by Molmil](/molmil-images/mine/2g36) | |
1ILV
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![BU of 1ilv by Molmil](/molmil-images/mine/1ilv) | Crystal Structure Analysis of the TM107 | Descriptor: | STATIONARY-PHASE SURVIVAL PROTEIN SURE HOMOLOG | Authors: | Zhang, R, Joachimiak, A, Edwards, A, Savchenko, A, Beasley, S, Evdokimova, E, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2001-05-08 | Release date: | 2001-10-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of Thermotoga maritima stationary phase survival protein SurE: a novel acid phosphatase. Structure, 9, 2001
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3W32
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![BU of 3w32 by Molmil](/molmil-images/mine/3w32) | EGFR kinase domain complexed with compound 20a | Descriptor: | 4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION | Authors: | Sogabe, S, Kawakita, Y. | Deposit date: | 2012-12-07 | Release date: | 2013-03-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors Bioorg.Med.Chem., 21, 2013
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3W79
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![BU of 3w79 by Molmil](/molmil-images/mine/3w79) | Crystal Structure of azoreductase AzrC in complex with sulfone-modified azo dye Orange I | Descriptor: | 4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase | Authors: | Ogata, D, Yu, J, Ooi, T, Yao, M. | Deposit date: | 2013-02-27 | Release date: | 2014-02-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of AzrA and of AzrC complexed with substrate or inhibitor: insight into substrate specificity and catalytic mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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