3JWB
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![BU of 3jwb by Molmil](/molmil-images/mine/3jwb) | Crystal structure of L-methionine gamma-lyase from Citrobacter freundii with norleucine | Descriptor: | DI(HYDROXYETHYL)ETHER, Methionine gamma-lyase, NORLEUCINE | Authors: | Revtovish, S.V, Nikulin, A.D, Morozova, E.A, Demidkina, T.V. | Deposit date: | 2009-09-18 | Release date: | 2010-09-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Three-dimensional structures of noncovalent complexes of Citrobacter freundii methionine gamma-lyase with substrates. Biochemistry Mosc., 76, 2011
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1QH3
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![BU of 1qh3 by Molmil](/molmil-images/mine/1qh3) | HUMAN GLYOXALASE II WITH CACODYLATE AND ACETATE IONS PRESENT IN THE ACTIVE SITE | Descriptor: | ACETATE ION, CACODYLATE ION, CHLORIDE ION, ... | Authors: | Cameron, A.D, Ridderstrom, M, Olin, B, Mannervik, B. | Deposit date: | 1999-05-10 | Release date: | 1999-09-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of human glyoxalase II and its complex with a glutathione thiolester substrate analogue. Structure Fold.Des., 7, 1999
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3JW9
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![BU of 3jw9 by Molmil](/molmil-images/mine/3jw9) | Crystal structure of L-methionine gamma-lyase from Citrobacter freundii with S-ethyl-cysteine | Descriptor: | DI(HYDROXYETHYL)ETHER, Methionine gamma-lyase, S-ethyl-L-cysteine | Authors: | Revtovish, S.V, Nikulin, A.D, Morozova, E.A, Demidkina, T.V. | Deposit date: | 2009-09-18 | Release date: | 2010-09-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional structures of noncovalent complexes of Citrobacter freundii methionine gamma-lyase with substrates. Biochemistry Mosc., 76, 2011
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5WKJ
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![BU of 5wkj by Molmil](/molmil-images/mine/5wkj) | 2.05 A resolution structure of MERS 3CL protease in complex with inhibitor GC376 | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, CALCIUM ION, ... | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C. | Deposit date: | 2017-07-25 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element. Eur J Med Chem, 150, 2018
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5WKK
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![BU of 5wkk by Molmil](/molmil-images/mine/5wkk) | 1.55 A resolution structure of MERS 3CL protease in complex with inhibitor GC813 | Descriptor: | (1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, MAGNESIUM ION, ... | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C. | Deposit date: | 2017-07-25 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element. Eur J Med Chem, 150, 2018
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5WKM
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![BU of 5wkm by Molmil](/molmil-images/mine/5wkm) | 2.25 A resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic inhibitor 21 | Descriptor: | (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Orf1a protein | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C. | Deposit date: | 2017-07-25 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element. Eur J Med Chem, 150, 2018
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3I1F
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![BU of 3i1f by Molmil](/molmil-images/mine/3i1f) | Gamma-subunit of the translation initiation factor 2 from S. solfataricus in complex with Gpp(CH2)p | Descriptor: | PHOSPHATE ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Translation initiation factor 2 subunit gamma | Authors: | Stolboushkina, E.A, Nikonov, S.V, Nikulin, A.D, Blaesi, U, Garber, M.B, Nikonov, O.S. | Deposit date: | 2009-06-26 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 5-prime-triphosphate end of mRNA recognizes the second GTP-binding site on the gamma-subunit of the archaeal translation initiation factor 2 To be Published
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1SKM
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![BU of 1skm by Molmil](/molmil-images/mine/1skm) | HhaI methyltransferase in complex with DNA containing an abasic south carbocyclic sugar at its target site | Descriptor: | 5'-D(*T*GP*TP*CP*AP*GP*(HCX)P*GP*CP*AP*TP*GP*G)-3', 5'-D(*TP*CP*CP*AP*TP*GP*CP*GP*CP*TP*GP*AP*C)-3', Modification methylase HhaI, ... | Authors: | Horton, J.R, Ratner, G, Banavali, N, Huang, N, Marquez, V.E, MacKerell, A.D, Cheng, X. | Deposit date: | 2004-03-05 | Release date: | 2004-08-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Caught in the act: visualization of an intermediate in the DNA base-flipping pathway induced by HhaI methyltransferase Nucleic Acids Res., 32, 2004
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3JWA
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![BU of 3jwa by Molmil](/molmil-images/mine/3jwa) | Crystal structure of L-methionine gamma-lyase from Citrobacter freundii with methionine phosphinate | Descriptor: | (1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHINIC ACID, DI(HYDROXYETHYL)ETHER, Methionine gamma-lyase | Authors: | Revtovish, S.V, Nikulin, A.D, Morozova, E.A, Demidkina, T.V. | Deposit date: | 2009-09-18 | Release date: | 2010-09-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Three-dimensional structures of noncovalent complexes of Citrobacter freundii methionine gamma-lyase with substrates. Biochemistry Mosc., 76, 2011
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3K0X
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![BU of 3k0x by Molmil](/molmil-images/mine/3k0x) | Crystal structure of telomere capping protein Ten1 from Saccharomyces pombe | Descriptor: | IODIDE ION, Protein Ten1 | Authors: | Gelinas, A.D, Reyes, F.E, Batey, R.T, Wuttke, D.S. | Deposit date: | 2009-09-25 | Release date: | 2009-10-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Telomere capping proteins are structurally related to RPA with an additional telomere-specific domain. Proc.Natl.Acad.Sci.USA, 106, 2009
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5WDD
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![BU of 5wdd by Molmil](/molmil-images/mine/5wdd) | Crystal structure of chicken BOK | Descriptor: | 1,2-ETHANEDIOL, Bcl-2-related ovarian killer protein | Authors: | Cowan, A.D, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-07-04 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Embryogenesis and Adult Life in the Absence of Intrinsic Apoptosis Effectors BAX, BAK, and BOK. Cell, 173, 2018
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3KJT
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![BU of 3kjt by Molmil](/molmil-images/mine/3kjt) | |
1T5A
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![BU of 1t5a by Molmil](/molmil-images/mine/1t5a) | Human Pyruvate Kinase M2 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... | Authors: | Dombrauckas, J.D, Santarsiero, B.D, Mesecar, A.D. | Deposit date: | 2004-05-03 | Release date: | 2005-07-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for tumor pyruvate kinase M2 allosteric regulation and catalysis. Biochemistry, 44, 2005
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1R8P
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![BU of 1r8p by Molmil](/molmil-images/mine/1r8p) | HPV-16 E2C solution structure | Descriptor: | Regulatory protein E2 | Authors: | Nadra, A.D, Eliseo, T, Cicero, D.O. | Deposit date: | 2003-10-28 | Release date: | 2004-11-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the HPV-16 E2 DNA binding domain, a transcriptional regulator with a dimeric beta-barrel fold J.Biomol.NMR, 30, 2004
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1RUA
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![BU of 1rua by Molmil](/molmil-images/mine/1rua) | Crystal structure (B) of u.v.-irradiated cationic cyclization antibody 4C6 fab at pH 4.6 with a data set collected at SSRL beamline 11-1. | Descriptor: | ACETATE ION, BENZOIC ACID, GLYCEROL, ... | Authors: | Zhu, X, Wentworth Jr, P, Wentworth, A.D, Eschenmoser, A, Lerner, R.A, Wilson, I.A. | Deposit date: | 2003-12-11 | Release date: | 2004-03-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Probing the antibody-catalyzed water-oxidation pathway at atomic resolution. Proc.Natl.Acad.Sci.USA, 110, 2004
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1RUM
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![BU of 1rum by Molmil](/molmil-images/mine/1rum) | Crystal structure (F) of H2O2-soaked cationic cyclization antibody 4C6 fab at pH 8.5 with a data set collected at SSRL beamline 9-1. | Descriptor: | BENZOIC ACID, GLYCEROL, immunoglobulin igg2a, ... | Authors: | Zhu, X, Wentworth Jr, P, Wentworth, A.D, Eschenmoser, A, Lerner, R.A, Wilson, I.A. | Deposit date: | 2003-12-11 | Release date: | 2004-03-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Probing the antibody-catalyzed water-oxidation pathway at atomic resolution. Proc.Natl.Acad.Sci.USA, 110, 2004
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5K19
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![BU of 5k19 by Molmil](/molmil-images/mine/5k19) | |
5K7G
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![BU of 5k7g by Molmil](/molmil-images/mine/5k7g) | IRAK4 in complex with AZ3862 | Descriptor: | (3~{a}~{S},7~{a}~{R})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, Interleukin-1 receptor-associated kinase 4, SULFATE ION | Authors: | Ferguson, A.D. | Deposit date: | 2016-05-26 | Release date: | 2017-12-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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5K72
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![BU of 5k72 by Molmil](/molmil-images/mine/5k72) | IRAK4 in complex with Compound 21 | Descriptor: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine | Authors: | Ferguson, A.D. | Deposit date: | 2016-05-25 | Release date: | 2017-12-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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5K1A
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![BU of 5k1a by Molmil](/molmil-images/mine/5k1a) | |
4YFX
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![BU of 4yfx by Molmil](/molmil-images/mine/4yfx) | Escherichia coli RNA polymerase in complex with Myxopyronin B | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Molodtsov, V, Fleming, P.R, Eyermann, C.J, Ferguson, A.D, Foulk, M.A, McKinney, D.C, Masse, C.E, Buurman, E.T, Murakami, K.S. | Deposit date: | 2015-02-25 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.844 Å) | Cite: | X-ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human Plasma Protein. J.Med.Chem., 58, 2015
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5KGG
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![BU of 5kgg by Molmil](/molmil-images/mine/5kgg) | |
5K1C
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![BU of 5k1c by Molmil](/molmil-images/mine/5k1c) | Crystal structure of the UAF1/WDR20/USP12 complex | Descriptor: | PHOSPHATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE, Ubiquitin carboxyl-terminal hydrolase 12, ... | Authors: | Li, H, D'Andrea, A.D, Zheng, N. | Deposit date: | 2016-05-18 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Allosteric Activation of Ubiquitin-Specific Proteases by beta-Propeller Proteins UAF1 and WDR20. Mol.Cell, 63, 2016
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5KGK
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![BU of 5kgk by Molmil](/molmil-images/mine/5kgk) | |
5K16
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![BU of 5k16 by Molmil](/molmil-images/mine/5k16) | |