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PDB: 492 results
5LL8
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BU of 5ll8 by Molmil
Human Carbonic Anhydrase II in complex with aliphatic Benzenesulfonamide inhibitor.
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-butylbenzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2016-07-27
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Crystallographic, kinetic and thermodynamic characterization of aliphatic Benzenesulfonamides as Ligands of human Carbonic Anhydrase II
To Be Published
5MIH
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BU of 5mih by Molmil
Crystal structure of the lectin LecA from Pseudomonas aeruginosa in complex with a phenyl-epoxy-galactopyranoside
Descriptor: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, PA-I galactophilic lectin, ...
Authors:Wagner, S, Hauk, D, Hofmann, M, Joachim, I, Sommer, R, Muller, R, Imberty, A, Varrot, A, Titz, A.
Deposit date:2016-11-28
Release date:2017-10-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Covalent Lectin Inhibition and Application in Bacterial Biofilm Imaging.
Angew. Chem. Int. Ed. Engl., 56, 2017
6YUU
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BU of 6yuu by Molmil
Crystal structure of M. tuberculosis InhA inhibited by SKTS1
Descriptor: 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Eltschkner, S, Schiebel, J, Kehrein, J, Le, T.A, Davoodi, S, Merget, B, Weinrich, J.D, Tonge, P.J, Engels, B, Sotriffer, C.A, Kisker, C.
Deposit date:2020-04-27
Release date:2021-03-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure.
Acs Infect Dis., 7, 2021
3PVX
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BU of 3pvx by Molmil
Binary complex of Aflatoxin B1 Adduct modified DNA (AFB1-FAPY) with DNA Polymerase IV
Descriptor: CALCIUM ION, DNA (5'-D(*AP*TP*TP*(PVX)P*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3'), ...
Authors:Banerjee, S.
Deposit date:2010-12-07
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Bypass of Aflatoxin B(1) Adducts by the Sulfolobus solfataricus DNA Polymerase IV.
J.Am.Chem.Soc., 133, 2011
3PW0
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BU of 3pw0 by Molmil
Ternary complex of Aflatoxin B1 Adduct modified DNA (AFB1-FAPY) with DNA Polymerase IV and incoming dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3'), ...
Authors:Banerjee, S.
Deposit date:2010-12-07
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Bypass of Aflatoxin B(1) Adducts by the Sulfolobus solfataricus DNA Polymerase IV.
J.Am.Chem.Soc., 133, 2011
3PW7
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BU of 3pw7 by Molmil
Ternary complex of Aflatoxin B1 Adduct modified DNA (AFB1-N7-Gua) with DNA Polymerase IV and incoming dCTP
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1, CALCIUM ION, ...
Authors:Banerjee, S.
Deposit date:2010-12-07
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Bypass of Aflatoxin B(1) Adducts by the Sulfolobus solfataricus DNA Polymerase IV.
J.Am.Chem.Soc., 133, 2011
3PW2
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BU of 3pw2 by Molmil
Ternary complex of Aflatoxin B1 Adduct modified DNA (AFB1-FAPY) with DNA Polymerase IV and incoming dTTP
Descriptor: CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3'), DNA (5'-D(*TP*TP*(PVX)P*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ...
Authors:Banerjee, S.
Deposit date:2010-12-07
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Bypass of Aflatoxin B(1) Adducts by the Sulfolobus solfataricus DNA Polymerase IV.
J.Am.Chem.Soc., 133, 2011
3PW5
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BU of 3pw5 by Molmil
Ternary complex of Aflatoxin B1 Adduct modified DNA (AFB1-N7-Gua) with DNA Polymerase IV and incoming dTTP
Descriptor: 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3'), ...
Authors:Banerjee, S.
Deposit date:2010-12-07
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bypass of Aflatoxin B(1) Adducts by the Sulfolobus solfataricus DNA Polymerase IV.
J.Am.Chem.Soc., 133, 2011
3PW4
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BU of 3pw4 by Molmil
Ternary complex of Aflatoxin B1 Adduct modified DNA (AFB1-N7-Gua) with DNA Polymerase IV and incoming dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1, CALCIUM ION, ...
Authors:Banerjee, S.
Deposit date:2010-12-07
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Bypass of Aflatoxin B(1) Adducts by the Sulfolobus solfataricus DNA Polymerase IV.
J.Am.Chem.Soc., 133, 2011
7ZQI
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BU of 7zqi by Molmil
MHC class I from a wild bird in complex with a nonameric peptide P2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Eltschkner, S, Mellinger, S, Buus, S, Nielsen, M, Paulsson, K.M, Lindkvist-Petersson, K, Westerdahl, H.
Deposit date:2022-04-29
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The structure of songbird MHC class I reveals antigen binding that is flexible at the N-terminus and static at the C-terminus.
Front Immunol, 14, 2023
7ZQJ
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BU of 7zqj by Molmil
MHC class I from a wild bird in complex with a nonameric peptide P3
Descriptor: ACETATE ION, Beta-2-microglobulin, MHC class I antigen, ...
Authors:Eltschkner, S, Mellinger, S, Buus, S, Nielsen, M, Paulsson, K.M, Lindkvist-Petersson, K, Westerdahl, H.
Deposit date:2022-04-29
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The structure of songbird MHC class I reveals antigen binding that is flexible at the N-terminus and static at the C-terminus.
Front Immunol, 14, 2023
4JUZ
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BU of 4juz by Molmil
Ternary complex of gamma-OHPDG adduct modified dna (zero primer) with dna polymerase iv and incoming dgtp
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*C)-3'), ...
Authors:Banerjee, S, Shanmugam, G, Stone, M.P.
Deposit date:2013-03-25
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Ring-Opening of the gamma-OH-PdG Adduct Promotes Error-Free Bypass by the Sulfolobus solfataricus DNA Polymerase Dpo4.
Chem.Res.Toxicol., 26, 2013
4JV2
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BU of 4jv2 by Molmil
Ternary complex of gamma-OHPDG adduct modified dna with dna (-1 primer) polymerase iv and incoming datp
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3'), ...
Authors:Banerjee, S, Shanmugam, G, Stone, M.P.
Deposit date:2013-03-25
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Ring-Opening of the gamma-OH-PdG Adduct Promotes Error-Free Bypass by the Sulfolobus solfataricus DNA Polymerase Dpo4.
Chem.Res.Toxicol., 26, 2013
4JV0
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BU of 4jv0 by Molmil
Ring-Opening of the -OH-PdG Adduct in Ternary Complexes with the Sulfolobus solfataricus DNA polymerase Dpo4
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*C)-3'), ...
Authors:Banerjee, S, Shanmugam, G, Stone, M.P.
Deposit date:2013-03-25
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Ring-Opening of the gamma-OH-PdG Adduct Promotes Error-Free Bypass by the Sulfolobus solfataricus DNA Polymerase Dpo4.
Chem.Res.Toxicol., 26, 2013
4JV1
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BU of 4jv1 by Molmil
Ternary complex of gamma-OHPDG adduct modified dna with dna (-1 primer) polymerase iv and incoming dgtp
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3'), ...
Authors:Banerjee, S, Shanmugam, G, Stone, M.P.
Deposit date:2013-03-25
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ring-Opening of the gamma-OH-PdG Adduct Promotes Error-Free Bypass by the Sulfolobus solfataricus DNA Polymerase Dpo4.
Chem.Res.Toxicol., 26, 2013
8B4G
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BU of 8b4g by Molmil
Structure of a fungal LPMO bound to ligands
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, CHLORIDE ION, ...
Authors:Banerjee, S, Huang, Z, Brander, S, Johansen, K.S, Lo Leggio, L.
Deposit date:2022-09-20
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.496 Å)
Cite:Structure of a fungal LPMO bound to ligands
To Be Published
8QEF
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BU of 8qef by Molmil
A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola ATCC 8482 bound to novel ligand.
Descriptor: 1,2-ETHANEDIOL, Putative acetyl xylan esterase, beta-D-galactopyranuronic acid
Authors:Banerjee, S, Poulsen, J.N, Mazurkewich, S, Seveso, A, Larsbrink, J, Lo Leggio, L.
Deposit date:2023-08-31
Release date:2023-12-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds.
Appl.Environ.Microbiol., 90, 2024
8QCL
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BU of 8qcl by Molmil
A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola vulgatus ATCC 8482
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Banerjee, S, Poulsen, J.N, Mazurkewich, S, Seveso, A, Larsbrink, J, Lo Leggio, L.
Deposit date:2023-08-27
Release date:2023-12-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds.
Appl.Environ.Microbiol., 90, 2024
4CV3
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BU of 4cv3 by Molmil
Crystal structure of E. coli FabI in complex with NADH and PT166
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]
Authors:Eltschkner, S, Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C.
Deposit date:2014-03-22
Release date:2014-04-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
7ZKY
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BU of 7zky by Molmil
Amyloid fibril from human systemic AA amyloidosis (vascular variant)
Descriptor: Amyloid protein A
Authors:Banerjee, S, Schmidt, M, Faendrich, M.
Deposit date:2022-04-13
Release date:2022-12-07
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Amyloid fibril structure from the vascular variant of systemic AA amyloidosis.
Nat Commun, 13, 2022
5UGS
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BU of 5ugs by Molmil
Crystal structure of M. tuberculosis InhA inhibited by PT501
Descriptor: 5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C.
Deposit date:2017-01-10
Release date:2017-02-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
J. Am. Chem. Soc., 139, 2017
5UGU
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BU of 5ugu by Molmil
Crystal structure of M. tuberculosis InhA inhibited by PT506
Descriptor: 2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C.
Deposit date:2017-01-10
Release date:2017-02-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
J. Am. Chem. Soc., 139, 2017
5UGT
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BU of 5ugt by Molmil
Crystal structure of M. tuberculosis InhA inhibited by PT504
Descriptor: 2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C.
Deposit date:2017-01-10
Release date:2017-02-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
J. Am. Chem. Soc., 139, 2017
5FTK
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BU of 5ftk by Molmil
Cryo-EM structure of human p97 bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE
Authors:Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
5FTL
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BU of 5ftl by Molmil
Cryo-EM structure of human p97 bound to ATPgS (Conformation I)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE
Authors:Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016

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数据于2024-07-17公开中

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