4GEV
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![BU of 4gev by Molmil](/molmil-images/mine/4gev) | E. coli thymidylate synthase Y209W variant in complex with substrate and a cofactor analog | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, Thymidylate synthase | Authors: | Newby, Z, Lee, T.T, Finer-Moore, J, Stroud, R.M. | Deposit date: | 2012-08-02 | Release date: | 2012-08-29 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A remote mutation affects the hydride transfer by disrupting concerted protein motions in thymidylate synthase. J.Am.Chem.Soc., 134, 2012
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4GK7
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![BU of 4gk7 by Molmil](/molmil-images/mine/4gk7) | yeast 20S proteasome in complex with the Syringolin-Glidobactin chimera | Descriptor: | Proteasome component C1, Proteasome component C11, Proteasome component C5, ... | Authors: | Groll, M, Stein, M.L, Bachmann, A. | Deposit date: | 2012-08-10 | Release date: | 2012-08-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Activity enhancement of the synthetic syrbactin proteasome inhibitor hybrid and biological evaluation in tumor cells. Biochemistry, 51, 2012
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6JD1
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![BU of 6jd1 by Molmil](/molmil-images/mine/6jd1) | Cryo-EM Structure of Sulfolobus solfataricus ketol-acid reductoisomerase (Sso-KARI) in complex with Mg2+, NADH, and CPD at pH7.5 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MAGNESIUM ION, Putative ketol-acid reductoisomerase 2, ... | Authors: | Chen, C.Y, Chang, Y.C, Lin, K.F, Huang, C.H, Lin, B.L, Ko, T.P, Hsieh, D.L, Tsai, M.D. | Deposit date: | 2019-01-30 | Release date: | 2019-04-17 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Use of Cryo-EM To Uncover Structural Bases of pH Effect and Cofactor Bispecificity of Ketol-Acid Reductoisomerase. J. Am. Chem. Soc., 141, 2019
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6JD2
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![BU of 6jd2 by Molmil](/molmil-images/mine/6jd2) | Crystal structure of Sulfolobus solfataricus ketol-acid reductoisomerase (Sso-KARI) in complex with Mg2+ at pH8.5 | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Putative ketol-acid reductoisomerase 2 | Authors: | Chen, C.Y, Chang, Y.C, Lin, K.F, Huang, C.H, Lin, B.L, Ko, T.P, Hsieh, D.L, Tsai, M.D. | Deposit date: | 2019-01-30 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Use of Cryo-EM To Uncover Structural Bases of pH Effect and Cofactor Bispecificity of Ketol-Acid Reductoisomerase. J.Am.Chem.Soc., 141, 2019
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6JCW
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![BU of 6jcw by Molmil](/molmil-images/mine/6jcw) | Cryo-EM Structure of Sulfolobus solfataricus ketol-acid reductoisomerase (Sso-KARI) with Mg2+ at pH8.5 | Descriptor: | MAGNESIUM ION, ketol-acid reductoisomerase | Authors: | Chen, C.Y, Chang, Y.C, Lin, K.F, Huang, C.H, Lin, B.L, Ko, T.P, Hsieh, D.L, Tsai, M.D. | Deposit date: | 2019-01-30 | Release date: | 2019-04-17 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Use of Cryo-EM To Uncover Structural Bases of pH Effect and Cofactor Bispecificity of Ketol-Acid Reductoisomerase. J. Am. Chem. Soc., 141, 2019
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6JCZ
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![BU of 6jcz by Molmil](/molmil-images/mine/6jcz) | Cryo-EM Structure of Sulfolobus solfataricus ketol-acid reductoisomerase (Sso-KARI) in complex with Mg2+, NADPH, and CPD at pH7.5 | Descriptor: | MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative ketol-acid reductoisomerase 2, ... | Authors: | Chen, C.Y, Chang, Y.C, Lin, K.F, Huang, C.H, Lin, B.L, Ko, T.P, Hsieh, D.L, Tsai, M.D. | Deposit date: | 2019-01-30 | Release date: | 2019-04-17 | Last modified: | 2019-05-01 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Use of Cryo-EM To Uncover Structural Bases of pH Effect and Cofactor Bispecificity of Ketol-Acid Reductoisomerase. J. Am. Chem. Soc., 141, 2019
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4D7Z
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![BU of 4d7z by Molmil](/molmil-images/mine/4d7z) | E. coli L-aspartate-alpha-decarboxylase mutant N72Q to a resolution of 1.9 Angstroms | Descriptor: | ASPARTATE 1-DECARBOXYLASE ALPHA CHAIN, ASPARTATE 1-DECARBOXYLASE BETA CHAIN, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bravo, J.P.K, Monteiro, D.C.F, Webb, M.E, Pearson, A.R. | Deposit date: | 2014-12-02 | Release date: | 2016-01-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Structure of the E. Coli L-Aspartate-Alpha-Decarboxylase Mutant N72Q to a Resolution of 1.9 Angstroms To be Published
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8DU2
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![BU of 8du2 by Molmil](/molmil-images/mine/8du2) | HnRNPA2 D290V LCD PM1 | Descriptor: | Heterogeneous nuclear ribonucleoproteins A2/B1 | Authors: | Eisenberg, D.S, Lu, J, Ge, P, Boyer, D.R. | Deposit date: | 2022-07-26 | Release date: | 2023-08-02 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures of the D290V mutant of the hnRNPA2 low-complexity domain suggests how D290V affects phase separation and aggregation. J.Biol.Chem., 300, 2023
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8DUW
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![BU of 8duw by Molmil](/molmil-images/mine/8duw) | HnRNPA2 D290V LCD PM2 | Descriptor: | Heterogeneous nuclear ribonucleoproteins A2/B1 | Authors: | Eisenberg, D.S, Lu, J, Ge, P, Boyer, D.R. | Deposit date: | 2022-07-27 | Release date: | 2023-08-02 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures of the D290V mutant of the hnRNPA2 low-complexity domain suggests how D290V affects phase separation and aggregation. J.Biol.Chem., 300, 2023
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8EC7
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![BU of 8ec7 by Molmil](/molmil-images/mine/8ec7) | HnRNPA2 D290V LCD PM3 | Descriptor: | Heterogeneous nuclear ribonucleoproteins A2/B1 | Authors: | Eisenberg, D.S, Lu, J, Ge, P, Boyer, D.R. | Deposit date: | 2022-09-01 | Release date: | 2023-09-06 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structures of the D290V mutant of the hnRNPA2 low-complexity domain suggests how D290V affects phase separation and aggregation. J.Biol.Chem., 300, 2023
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3TNX
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![BU of 3tnx by Molmil](/molmil-images/mine/3tnx) | Structure of the precursor of a thermostable variant of papain at 2.6 Angstroem resolution | Descriptor: | CHLORIDE ION, Papain | Authors: | Roy, S, Choudhury, D, Dattagupta, J.K, Biswas, S. | Deposit date: | 2011-09-02 | Release date: | 2012-09-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | The structure of a thermostable mutant of pro-papain reveals its activation mechanism Acta Crystallogr.,Sect.D, 68, 2012
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8F2I
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![BU of 8f2i by Molmil](/molmil-images/mine/8f2i) | P53 monomer structure | Descriptor: | Cellular tumor antigen p53 | Authors: | Solares, M, Kelly, D.F. | Deposit date: | 2022-11-08 | Release date: | 2022-11-23 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | High-Resolution Imaging of Human Cancer Proteins Using Microprocessor Materials. Chembiochem, 23, 2022
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8F2H
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![BU of 8f2h by Molmil](/molmil-images/mine/8f2h) | |
6JCV
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![BU of 6jcv by Molmil](/molmil-images/mine/6jcv) | Cryo-EM structure of Sulfolobus solfataricus ketol-acid reductoisomerase (Sso-KARI) with Mg2+ at pH7.5 | Descriptor: | MAGNESIUM ION, Putative ketol-acid reductoisomerase 2 | Authors: | Chen, C.Y, Chang, Y.C, Lin, K.F, Huang, C.H, Lin, B.L, Ko, T.P, Hsieh, D.L, Tsai, M.D. | Deposit date: | 2019-01-30 | Release date: | 2019-04-17 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Use of Cryo-EM To Uncover Structural Bases of pH Effect and Cofactor Bispecificity of Ketol-Acid Reductoisomerase. J. Am. Chem. Soc., 141, 2019
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2VVU
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![BU of 2vvu by Molmil](/molmil-images/mine/2vvu) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-11 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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2V12
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![BU of 2v12 by Molmil](/molmil-images/mine/2v12) | Crystal Structure of Renin with Inhibitor 8 | Descriptor: | N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE, RENIN | Authors: | Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G. | Deposit date: | 2007-05-21 | Release date: | 2007-07-03 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin Chem.Biol., 7, 2000
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2V16
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![BU of 2v16 by Molmil](/molmil-images/mine/2v16) | Crystal Structure of Renin with Inhibitor 3 | Descriptor: | METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-9-OXO-NONANOYL]-3,4-DIHYDRO-2H-QUINOLINE-3-CARBOXYLATE, RENIN | Authors: | Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G. | Deposit date: | 2007-05-22 | Release date: | 2008-07-08 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin Chem.Biol., 7, 2000
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7EH3
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![BU of 7eh3 by Molmil](/molmil-images/mine/7eh3) | |
7EL7
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![BU of 7el7 by Molmil](/molmil-images/mine/7el7) | NMR solution structure of the 1:1 complex of a quadruplex-duplex hybrid MYT1L and a platinum(II) ligand L1Pt(dien) | Descriptor: | G-quadruplex DNA MYT1L, Pt(diethylenetriamine)(2-(pyridin-4-ylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone) | Authors: | Liu, L.-Y, Liu, W, Mao, Z.-W. | Deposit date: | 2021-04-08 | Release date: | 2021-12-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Spatial Matching Selectivity and Solution Structure of Organic-Metal Hybrid to Quadruplex-Duplex Hybrid. Angew.Chem.Int.Ed.Engl., 60, 2021
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4R67
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![BU of 4r67 by Molmil](/molmil-images/mine/4r67) | Human constitutive 20S proteasome in complex with carfilzomib | Descriptor: | N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | Authors: | Sacchettini, J.C, Harshbarger, W.H. | Deposit date: | 2014-08-22 | Release date: | 2015-02-11 | Last modified: | 2015-02-18 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Crystal Structure of the Human 20S Proteasome in Complex with Carfilzomib. Structure, 23, 2015
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4R3O
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![BU of 4r3o by Molmil](/molmil-images/mine/4r3o) | Human Constitutive 20S Proteasome | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Sacchettini, J.C, Harshbarger, W.H. | Deposit date: | 2014-08-16 | Release date: | 2015-01-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of the Human 20S Proteasome in Complex with Carfilzomib. Structure, 23, 2015
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2VWL
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![BU of 2vwl by Molmil](/molmil-images/mine/2vwl) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[2-FLUORO-4-(2-OXO-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-5-HYDROXYMETHYL-PYRROLIDIN-3-YL)-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-26 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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2VVV
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![BU of 2vvv by Molmil](/molmil-images/mine/2vvv) | Aminopyrrolidine-related triazole Factor Xa inhibitor | Descriptor: | 5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-12 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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2VWO
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![BU of 2vwo by Molmil](/molmil-images/mine/2vwo) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-26 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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2VWM
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![BU of 2vwm by Molmil](/molmil-images/mine/2vwm) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | (4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-26 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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