4NM1
 
 | Structure of human DNA polymerase beta complexed with a nicked DNA containing a 8BrG-C at N-1 position and G-C at N position | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*GP*(BGM)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | Authors: | Koag, M.-C, Min, K, Monzingo, A.F, Lee, S. | Deposit date: | 2013-11-14 | Release date: | 2014-01-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.415 Å) | Cite: | Structural basis for promutagenicity of 8-halogenated Guanine. J.Biol.Chem., 289, 2014
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4RRD
 
 | N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Thr3AA (snapshot 4) | Descriptor: | 3'-deoxy-3'-(L-threonylamino)adenosine, MAGNESIUM ION, Probable threonine--tRNA ligase 2 | Authors: | Ahmad, S, Muthukumar, S, Yerabham, A.S.K, Kamarthapu, V, Sankaranarayanan, R. | Deposit date: | 2014-11-06 | Release date: | 2015-07-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme. Nat Commun, 6, 2015
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6V26
 
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6V27
 
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2Q1A
 
 | 2-keto-3-deoxy-D-arabinonate dehydratase complexed with magnesium and 2-oxobutyrate | Descriptor: | 2-KETOBUTYRIC ACID, 2-keto-3-deoxy-D-arabinonate dehydratase, MAGNESIUM ION | Authors: | Barends, T, Brouns, S, Worm, P, Akerboom, J, Turnbull, A, Salmon, L. | Deposit date: | 2007-05-24 | Release date: | 2008-04-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insight into substrate binding and catalysis of a novel 2-keto-3-deoxy-D-arabinonate dehydratase illustrates common mechanistic features of the FAH superfamily. J.Mol.Biol., 379, 2008
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6V38
 
 | Cryo-EM structure of Ca2+-bound hsSlo1 channel | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, CHOLESTEROL, ... | Authors: | Tao, X, MacKinnon, R. | Deposit date: | 2019-11-25 | Release date: | 2019-12-25 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Molecular structures of the human Slo1 K + channel in complex with beta 4. Elife, 8, 2019
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6NXA
 
 | ECAII(D90T,K162T) MUTANT AT PH 7 | Descriptor: | ACETIC ACID, GLYCEROL, L-asparaginase 2 | Authors: | Lubkowski, J, Wlodawer, A. | Deposit date: | 2019-02-08 | Release date: | 2019-08-07 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Opportunistic complexes of E. coli L-asparaginases with citrate anions. Sci Rep, 9, 2019
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1F98
 
 | CRYSTAL STRUCTURE OF THE PHOTOACTIVE YELLOW PROTEIN MUTANT T50V | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | Authors: | Brudler, R, Meyer, T.E, Genick, U.K, Tollin, G, Getzoff, E.D. | Deposit date: | 2000-07-07 | Release date: | 2000-07-21 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Coupling of hydrogen bonding to chromophore conformation and function in photoactive yellow protein. Biochemistry, 39, 2000
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2Q8O
 
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4RFM
 
 | ITK kinase domain in complex with compound 1 N-{1-[(1,1-dioxo-1-thian-2-yl)(phenyl)methyl]-1H- pyrazol-4-yl}-5,5-difluoro-5a-methyl-1H,4H,4aH,5H,5aH,6H-cyclopropa[f]indazole-3-carboxamide | Descriptor: | (4aS,5aR)-N-{1-[(R)-[(2R)-1,1-dioxidotetrahydro-2H-thiopyran-2-yl](phenyl)methyl]-1H-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK | Authors: | McEwan, P.A, Barker, J.J, Eigenbrot, C. | Deposit date: | 2014-09-26 | Release date: | 2015-04-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second-Generation Analogues with Enhanced Potency, Selectivity, and Pharmacodynamic Modulation in Vivo. J.Med.Chem., 58, 2015
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6NX8
 
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4R6G
 
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4NJO
 
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4NEW
 
 | Crystal structure of Trypanothione Reductase from Trypanosoma cruzi in complex with inhibitor EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE) | Descriptor: | 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, Trypanothione reductase, ... | Authors: | Persch, E, Bryson, S, Pai, E.F, Krauth-Siegel, R.L, Diederich, F. | Deposit date: | 2013-10-30 | Release date: | 2014-05-14 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase. Chemmedchem, 9, 2014
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4NLZ
 
 | Structure of human DNA polymerase beta complexed with nicked DNA containing a mismatched template 8BrG and incoming GTP | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*(BGM)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*AP*G)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | Authors: | Koag, M.-C, Min, K, Monzingo, A.F, Lee, S. | Deposit date: | 2013-11-14 | Release date: | 2014-01-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.683 Å) | Cite: | Structural basis for promutagenicity of 8-halogenated Guanine. J.Biol.Chem., 289, 2014
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4N99
 
 | E. coli sliding clamp in complex with 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid | Descriptor: | 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-10-19 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
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4RRK
 
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4RRC
 
 | N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Thr3AA (snapshot 3) | Descriptor: | 3'-deoxy-3'-(L-threonylamino)adenosine, Probable threonine--tRNA ligase 2 | Authors: | Ahmad, S, Muthukumar, S, Yerabham, A.S.K, Kamarthapu, V, Sankaranarayanan, R. | Deposit date: | 2014-11-06 | Release date: | 2015-07-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme. Nat Commun, 6, 2015
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6NKX
 
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4ODS
 
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8WTR
 
 | HUMAN SQUALENE SYNTHASE IN COMPLEX WITH (1S,3R)-3-[2-Chloro-5-(2,2-dimethyl-propyl)-13-(2-methoxy-phenyl)-6,8-dioxo-5,6,7,8,10,11-hexahydro-13H-12-oxa-5,9-diaza-benzocycloundecen-9-yl]-cyclohexanecarboxylic acid | Descriptor: | (1~{S},3~{R})-3-[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3,5-bis(oxidanylidene)-9-oxa-2,6-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-6-yl]cyclohexane-1-carboxylic acid, PHOSPHATE ION, Squalene synthase | Authors: | Suzuki, M, Haginoya, N, Suzuki, M, Ishigai, Y, Terayama, K, Kanda, A, Sugita, K. | Deposit date: | 2023-10-19 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Novel 11-Membered Templates as Squalene Synthase Inhibitors. J.Med.Chem., 67, 2024
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2R5D
 
 | Structure of the gp41 N-trimer in complex with the HIV entry inhibitor PIE7 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, HIV entry inhibitor PIE7, ... | Authors: | VanDemark, A.P, Welch, B, Heroux, A, Hill, C.P, Kay, M.S. | Deposit date: | 2007-09-03 | Release date: | 2007-10-02 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Potent D-peptide inhibitors of HIV-1 entry Proc.Natl.Acad.Sci.Usa, 104, 2007
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8WTQ
 
 | HUMAN SQUALENE SYNTHASE IN COMPLEX WITH {1-[2-Chloro-5-(2,2-dimethyl-propyl)-13-(2-methoxy-phenyl)-6-oxo-6,7,10,11-tetrahydro-5H,9H,13H-12-oxa-5,8-diaza-benzocycloundecene-8-carbonyl]-piperidin-4-yl}-acetic acid | Descriptor: | 2-[1-[[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3-oxidanylidene-9-oxa-2,5-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-5-yl]carbonyl]piperidin-4-yl]ethanoic acid, PHOSPHATE ION, Squalene synthase | Authors: | Suzuki, M, Haginoya, N, Suzuki, M, Ishigai, Y, Terayama, K, Kanda, A, Sugita, K. | Deposit date: | 2023-10-19 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Novel 11-Membered Templates as Squalene Synthase Inhibitors. J.Med.Chem., 67, 2024
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2R8T
 
 | Crystal structure of the fructose 1,6-bisphosphatase GlpX from E.coli in the complex with fructose 1,6-bisphosphate | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase class II glpX, UNKNOWN ATOM OR ION | Authors: | Lunin, V.V, Skarina, T, Brown, G, Yakunin, A, Edwards, A.M, Savchenko, A. | Deposit date: | 2007-09-11 | Release date: | 2008-08-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the fructose 1,6-bisphosphatase GlpX
from E.coli in the complex with fructose 1,6-bisphosphate To be Published
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6NKR
 
 | Ternary complex crystal structure of K289M variant of DNA polymerase Beta with dGTP | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Batra, V.K, Wilson, S.H. | Deposit date: | 2019-01-07 | Release date: | 2020-01-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography. Biochemistry, 59, 2020
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