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6VNU
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BU of 6vnu by Molmil
X-ray Crystal Structure of Ruthenocenyl-7-Aminocephalosporanic Acid Covalent Acyl-Enzyme Complex with CTX-M-14 E166A Beta-Lactamase
Descriptor: Beta-lactamase, POTASSIUM ION, [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium, ...
Authors:Lewandowski, E.M, Jacobs, L.M.C, Chen, Y.
Deposit date:2020-01-29
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Metallocenyl 7-ACA Conjugates: Antibacterial Activity Studies and Atomic-Resolution X-ray Crystal Structure with CTX-M beta-Lactamase.
Chembiochem, 21, 2020
5GIY
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BU of 5giy by Molmil
HSA-Palmitic acid-[RuCl5(ind)]2-
Descriptor: PALMITIC ACID, Serum albumin, pentakis(chloranyl)-(1~{H}-indazol-2-ium-2-yl)ruthenium(1-)
Authors:Yang, F, Wang, T.
Deposit date:2016-06-25
Release date:2017-07-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.543 Å)
Cite:Structure of HSA-Palmitic acid-[RuCl5(ind)]2-
To Be Published
1G6V
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BU of 1g6v by Molmil
Complex of the camelid heavy-chain antibody fragment CAB-CA05 with bovine carbonic anhydrase
Descriptor: ANTIBODY HEAVY CHAIN, CARBONIC ANHYDRASE, ZINC ION
Authors:Desmyter, A, Decanniere, K, Muyldermans, S, Wyns, L.
Deposit date:2000-11-08
Release date:2000-11-22
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Antigen specificity and high affinity binding provided by one single loop of a camel single-domain antibody.
J.Biol.Chem., 276, 2001
5GNM
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BU of 5gnm by Molmil
Cytochrome P450 Vdh (CYP107BR1) L348M mutant
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Vitamin D(3) 25-hydroxylase
Authors:Yasutake, Y, Tamura, T.
Deposit date:2016-07-22
Release date:2017-05-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insights into the mechanism of the drastic changes in enzymatic activity of the cytochrome P450 vitamin D3 hydroxylase (CYP107BR1) caused by a mutation distant from the active site
Acta Crystallogr F Struct Biol Commun, 73, 2017
7N6F
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BU of 7n6f by Molmil
Co-complex CYP46A1 with compound 3f
Descriptor: (3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone, 1,2-ETHANEDIOL, Cholesterol 24-hydroxylase, ...
Authors:Lane, W, Gay, S.C.
Deposit date:2021-06-08
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design and synthesis of aryl-piperidine derivatives as potent and selective PET tracers for cholesterol 24-hydroxylase (CH24H)
Eur.J.Med.Chem., 240, 2022
1GFW
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BU of 1gfw by Molmil
THE 2.8 ANGSTROM CRYSTAL STRUCTURE OF CASPASE-3 (APOPAIN OR CPP32)IN COMPLEX WITH AN ISATIN SULFONAMIDE INHIBITOR.
Descriptor: 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE, CASPASE-3 (APOPAIN, P10), ...
Authors:Concha, N.O, Janson, C.A.
Deposit date:2000-06-16
Release date:2000-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Potent and selective nonpeptide inhibitors of caspases 3 and 7 inhibit apoptosis and maintain cell functionality.
J.Biol.Chem., 275, 2000
1V76
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BU of 1v76 by Molmil
Crystal Structure of Archaeal Ribonuclease P Protein Ph1771p from Pyrococcus horikoshii OT3
Descriptor: RNase P protein Ph1771p, SULFATE ION
Authors:Numata, T, Kakuta, Y, Kimura, M.
Deposit date:2003-12-12
Release date:2004-10-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of archaeal ribonuclease P protein Ph1771p from Pyrococcus horikoshii OT3: an archaeal homolog of eukaryotic ribonuclease P protein Rpp29
Rna, 10, 2004
5GOR
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BU of 5gor by Molmil
Crystal structure of alkaline invertase InvA from Anabaena sp. PCC 7120
Descriptor: Alkaline Invertase, GLYCEROL, SULFATE ION
Authors:Xie, J, Cai, K, Hu, H.X, Jiang, Y.L, Yang, F, Hu, P.F, Chen, Y, Zhou, C.Z.
Deposit date:2016-07-28
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.673 Å)
Cite:Structural Analysis of the Catalytic Mechanism and Substrate Specificity of Anabaena Alkaline Invertase InvA Reveals a Novel Glucosidase
J. Biol. Chem., 291, 2016
8KEI
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BU of 8kei by Molmil
Cryo-EM structure of NADPH oxidase 2 in complex with p22phox and EROS
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Liang, S.Y, Liu, A.J, Liu, Y.Z, Ye, R.D.
Deposit date:2023-08-11
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Cryo-EM structure of NADPH oxidase 2 in complex with p22phox and EROS
To Be Published
5G27
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BU of 5g27 by Molmil
Structure of Spin-labelled T4 lysozyme mutant L118C-R1 at Room Temperature
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, ENDOLYSIN, ...
Authors:Gohlke, U, Consentius, P, Loll, B, Mueller, R, Kaupp, M, Heinemann, U, Risse, T.
Deposit date:2016-04-07
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Tracking Transient Conformational States of T4 Lysozyme at Room Temperature Combining X-Ray Crystallography and Site-Directed Spin Labeling.
J.Am.Chem.Soc., 138, 2016
6VK7
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BU of 6vk7 by Molmil
Crystal Structure of reduced Methylosinus trichosporium OB3b Soluble Methane Monooxygenase Hydroxylase
Descriptor: FE (III) ION, Methane monooxygenase, Methane monooxygenase component A alpha chain
Authors:Jones, J.C, Banerjee, R, Shi, K, Aihara, H, Lipscomb, J.D.
Deposit date:2020-01-18
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural Studies of theMethylosinus trichosporiumOB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex Reveal a Transient Substrate Tunnel.
Biochemistry, 59, 2020
8K6B
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BU of 8k6b by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/M165V mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
1GGM
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BU of 1ggm by Molmil
GLYCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH GLYCYL-ADENYLATE
Descriptor: GLYCYL-ADENOSINE-5'-PHOSPHATE, Glycine--tRNA ligase
Authors:Arnez, J.G, Moras, D.
Deposit date:1999-01-27
Release date:1999-01-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Glycyl-tRNA synthetase uses a negatively charged pit for specific recognition and activation of glycine.
J.Mol.Biol., 286, 1999
8K6A
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BU of 8k6a by Molmil
Crystal structure of SARS-CoV-2 3CLpro S301P mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
1V62
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BU of 1v62 by Molmil
Solution structure of the 3rd PDZ domain of GRIP2
Descriptor: KIAA1719 protein
Authors:Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-11-27
Release date:2004-05-27
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the 3rd PDZ domain of GRIP2
To be Published
8K68
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BU of 8k68 by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
7MXR
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BU of 7mxr by Molmil
Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' recessed-end DNA (r-2)
Descriptor: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ...
Authors:Shi, Y, Beese, L.S.
Deposit date:2021-05-19
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Structures of reaction intermediates reveal transient Mg2+-binding events that dynamically coordinate Human Exonuclease I activities
To Be Published
5XTI
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BU of 5xti by Molmil
Cryo-EM architecture of human respiratory chain megacomplex-I2III2IV2
Descriptor: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, Acyl carrier protein, ...
Authors:Gu, J, Wu, M, Yang, M.
Deposit date:2017-06-19
Release date:2017-09-13
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (17.4 Å)
Cite:Architecture of Human Mitochondrial Respiratory Megacomplex I2III2IV2.
Cell, 170, 2017
5JK4
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BU of 5jk4 by Molmil
Phosphate-Binding Protein from Stenotrophomonas maltophilia.
Descriptor: Alkaline phosphatase, PHOSPHATE ION
Authors:Keegan, R, Waterman, D, Hopper, D, Coates, L, Guo, J, Coker, A.R, Erskine, P.T, Wood, S.P, Cooper, J.B.
Deposit date:2016-04-25
Release date:2016-05-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The 1.1 angstrom resolution structure of a periplasmic phosphate-binding protein from Stenotrophomonas maltophilia: a crystallization contaminant identified by molecular replacement using the entire Protein Data Bank.
Acta Crystallogr D Struct Biol, 72, 2016
6VZB
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BU of 6vzb by Molmil
Crystal structure of cytochrome P450 NasF5053 S284A-V288A mutant variant from Streptomyces sp. NRRL F-5053 in the cyclo-L-Trp-L-Pro-bound state
Descriptor: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ...
Authors:Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B.
Deposit date:2020-02-28
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
7MXS
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BU of 7mxs by Molmil
Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' recessed-end DNA (cr)
Descriptor: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ...
Authors:Shi, Y, Beese, L.S.
Deposit date:2021-05-19
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.798 Å)
Cite:Structures of reaction intermediates reveal transient Mg2+-binding events that dynamically coordinate Human Exonuclease I activities
To Be Published
1J1C
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BU of 1j1c by Molmil
Binary complex structure of human tau protein kinase I with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Glycogen synthase kinase-3 beta, MAGNESIUM ION
Authors:Aoki, M, Yokota, T, Sugiura, I, Sasaki, C, Hasegawa, T, Okumura, C, Kohno, T, Sugio, S, Matsuzaki, T.
Deposit date:2002-12-03
Release date:2003-12-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insight into nucleotide recognition in tau-protein kinase I/glycogen synthase kinase 3 beta.
Acta Crystallogr.,Sect.D, 60, 2004
7MXU
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BU of 7mxu by Molmil
Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' flap DNA (cf2)
Descriptor: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*A)-3'), DNA (5'-D(P*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ...
Authors:Shi, Y, Beese, L.S.
Deposit date:2021-05-19
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.042 Å)
Cite:Structures of reaction intermediates reveal transient Mg2+-binding events that dynamically coordinate Human Exonuclease I activities
To Be Published
7MXV
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BU of 7mxv by Molmil
Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' recessed-end DNA (ur)
Descriptor: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ...
Authors:Shi, Y, Beese, L.S.
Deposit date:2021-05-19
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.211 Å)
Cite:Structures of reaction intermediates reveal transient Mg2+-binding events that dynamically coordinate Human Exonuclease I activities
To Be Published
7MXT
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BU of 7mxt by Molmil
Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' recessed-end DNA (cmr)
Descriptor: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ...
Authors:Shi, Y, Beese, L.S.
Deposit date:2021-05-19
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.048 Å)
Cite:Structures of reaction intermediates reveal transient Mg2+-binding events that dynamically coordinate Human Exonuclease I activities
To Be Published

226414

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