7CIC
| Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | 2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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5CIC
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2CIC
| THE CRYSTAL STRUCTURE OF A COMPLEX OF CAMPYLOBACTER JEJUNI DUTPASE WITH SUBSTRATE ANALOGUE DUPNHPP | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDE HYDROLASE, MAGNESIUM ION | Authors: | Moroz, O.V, Harkiolaki, M, Gonzalez-Pacanowska, D, Wilson, K.S. | Deposit date: | 2006-03-17 | Release date: | 2007-03-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of the Leishmania Major Deoxyuridine Triphosphate Nucleotidohydrolase in Complex with Nucleotide Analogues, Dump, and Deoxyuridine. J.Biol.Chem., 286, 2011
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4CIC
| T. potens IscR | Descriptor: | HEXA-ALANINE PEPTIDE, SODIUM ION, TRANSCRIPTIONAL REGULATOR, ... | Authors: | Santos, J.A, Macedo-Ribeiro, S, Pereira, P.J.B. | Deposit date: | 2013-12-06 | Release date: | 2014-05-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Unique Regulation of Iron-Sulfur Cluster Biogenesis in a Gram-Positive Bacterium. Proc.Natl.Acad.Sci.USA, 111, 2014
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8CIC
| Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with clinical candidate Etrumadenant | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, ... | Authors: | Cheng, R.K.Y, Markovic-Mueller, S, Hennig, M. | Deposit date: | 2023-02-09 | Release date: | 2023-05-31 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Crystal structure of adenosine A 2A receptor in complex with clinical candidate Etrumadenant reveals unprecedented antagonist interaction. Commun Chem, 6, 2023
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7F32
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4CHU
| E. coli IscR-DNA complex | Descriptor: | HTH-TYPE TRANSCRIPTIONAL REGULATOR ISCR, HYA PROMOTER FRAGMENT | Authors: | Santos, J.A, Macedo-Ribeiro, S, Pereira, P.J.B. | Deposit date: | 2013-12-04 | Release date: | 2014-05-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.489 Å) | Cite: | The Unique Regulation of Iron-Sulfur Cluster Biogenesis in a Gram-Positive Bacterium. Proc.Natl.Acad.Sci.USA, 111, 2014
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7M5W
| Crystal structure of the HMG-C1 domain of human capicua bound to DNA | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*TP*TP*TP*TP*TP*CP*AP*TP*TP*CP*AP*TP*AP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*TP*AP*TP*GP*AP*AP*TP*GP*AP*AP*AP*AP*AP*GP*C)-3'), ... | Authors: | Webb, J.P, Liew, J.J.M, Gnann, A.D, Dowling, D.P. | Deposit date: | 2021-03-25 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Molecular basis of DNA recognition by the HMG-box-C1 module of Capicua Biorxiv, 2022
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6CTS
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1SIB
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1C9U
| CRYSTAL STRUCTURE OF THE SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE IN COMPLEX WITH PQQ | Descriptor: | CALCIUM ION, GLYCEROL, PYRROLOQUINOLINE QUINONE, ... | Authors: | Oubrie, A, Rozeboom, H.J, Dijkstra, B.W. | Deposit date: | 1999-08-03 | Release date: | 2000-02-04 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and mechanism of soluble quinoprotein glucose dehydrogenase. EMBO J., 18, 1999
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4B2B
| Structure of the factor Xa-like trypsin variant triple-Ala (TGPA) in complex with eglin C | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | Authors: | Menzel, A, Neumann, P, Stubbs, M.T. | Deposit date: | 2012-07-13 | Release date: | 2012-08-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Thermodynamic signatures in macromolecular interactions involving conformational flexibility. Biol.Chem., 395, 2014
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4B2C
| Structure of the factor Xa-like trypsin variant triple-Ala (TPA) in complex with eglin C | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | Authors: | Menzel, A, Neumann, P, Stubbs, M.T. | Deposit date: | 2012-07-13 | Release date: | 2012-08-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Thermodynamic signatures in macromolecular interactions involving conformational flexibility. Biol.Chem., 395, 2014
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4B2A
| Structure of the factor Xa-like trypsin variant triple-Ala (TGA) in complex with eglin C | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | Authors: | Menzel, A, Neumann, P, Stubbs, M.T. | Deposit date: | 2012-07-13 | Release date: | 2012-08-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Thermodynamic signatures in macromolecular interactions involving conformational flexibility. Biol.Chem., 395, 2014
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1QM7
| X-ray structure of a three-fingered chimeric protein, stability of a structural scaffold | Descriptor: | R-CHII | Authors: | Le Du, M.H, Ricciardi, A, Khayati, M, Menez, R, Boulain, J.C, Menez, A, Ducancel, F. | Deposit date: | 1999-09-21 | Release date: | 2000-03-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Stability of a Structural Scaffold Upon Activity Transfer : X-Ray Structure of a Three Fingers Chimeric Protein. J.Mol.Biol., 296, 2000
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8RFK
| Soluble glucose dehydrogenase from acinetobacter calcoaceticus - single mutant pH8 | Descriptor: | 3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid, CALCIUM ION, Quinoprotein glucose dehydrogenase B | Authors: | Lublin, V, Chavas, L, Stines-Chaumeil, C, Kauffmann, B, Giraud, M.F, Thompson, A. | Deposit date: | 2023-12-13 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2? Biosci.Rep., 44, 2024
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8RE0
| Soluble glucose dehydrogenase from acinetobacter calcoaceticus - double mutant pH8 | Descriptor: | 3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid, CALCIUM ION, LITHIUM ION, ... | Authors: | Lublin, V, Chavas, L, Stines-Chaumeil, C, Kauffmann, B, Giraud, M.F, Thompson, A. | Deposit date: | 2023-12-09 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2? Biosci.Rep., 44, 2024
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8RG1
| Soluble glucose dehydrogenase from acinetobacter calcoaceticus - wild type pH8 | Descriptor: | 3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid, CALCIUM ION, LITHIUM ION, ... | Authors: | Lublin, V, Chavas, L, Stines-Chaumeil, C, Kauffmann, B, Giraud, M.F, Thompson, A. | Deposit date: | 2023-12-13 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2? Biosci.Rep., 44, 2024
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2SEC
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2TEC
| MOLECULAR DYNAMICS REFINEMENT OF A THERMITASE-EGLIN-C COMPLEX AT 1.98 ANGSTROMS RESOLUTION AND COMPARISON OF TWO CRYSTAL FORMS THAT DIFFER IN CALCIUM CONTENT | Descriptor: | CALCIUM ION, EGLIN C, THERMITASE | Authors: | Gros, P, Betzel, C, Dauter, Z, Wilson, K.S, Hol, W.G.J. | Deposit date: | 1990-10-26 | Release date: | 1992-01-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Molecular dynamics refinement of a thermitase-eglin-c complex at 1.98 A resolution and comparison of two crystal forms that differ in calcium content. J.Mol.Biol., 210, 1989
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9C4M
| Crystal Structure of A. baumannii GuaB dCBS with inhibitor G6 (3826) | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-[4-chloro-3-(morpholin-4-yl)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide | Authors: | Harris, S.F, Wu, P. | Deposit date: | 2024-06-04 | Release date: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Differential effects of inosine monophosphate dehydrogenase (IMPDH/GuaB) inhibition in Acinetobacter baumannii and Escherichia coli. J.Bacteriol., 2024
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9BAQ
| CryoEM structure of DIM2-HP1-H3K9me3-DNA complex | Descriptor: | DNA (5'-D(*AP*CP*TP*AP*CP*T)-R(P*(PYO))-D(P*CP*TP*CP*CP*TP*CP*CP*TP*AP*CP*T)-3'), DNA (5'-D(*AP*GP*TP*AP*GP*GP*AP*GP*GP*AP*GP*GP*AP*GP*TP*AP*GP*T)-3'), DNA (cytosine-5-)-methyltransferase, ... | Authors: | Song, J, Shao, Z. | Deposit date: | 2024-04-04 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | CryoEM structure of DIM2-HP1-H3K9me3-DNA complex To Be Published
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1SBN
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2D4Z
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1CRU
| SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE FROM ACINETOBACTER CALCOACETICUS IN COMPLEX WITH PQQ AND METHYLHYDRAZINE | Descriptor: | CALCIUM ION, GLYCEROL, METHYLHYDRAZINE, ... | Authors: | Oubrie, A, Rozeboom, H.J, Dijkstra, B.W. | Deposit date: | 1999-08-16 | Release date: | 2000-03-01 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Active-site structure of the soluble quinoprotein glucose dehydrogenase complexed with methylhydrazine: a covalent cofactor-inhibitor complex. Proc.Natl.Acad.Sci.USA, 96, 1999
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