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PDB: 492 results

5I9M
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Crystal structure of B. pseudomallei FabI in complex with NAD and PT408
Descriptor: 5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
Deposit date:2016-02-20
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
5K0Z
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Cryo-EM structure of lactate dehydrogenase (LDH) in inhibitor-bound state
Descriptor: L-lactate dehydrogenase B chain
Authors:Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S.
Deposit date:2016-05-17
Release date:2016-06-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
5I7E
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BU of 5i7e by Molmil
Crystal structure of B. pseudomallei FabI in apo form
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
Deposit date:2016-02-17
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
6P7A
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CRYSTAL STRUCTURE OF THE FOWLPOX VIRUS HOLLIDAY JUNCTION RESOLVASE
Descriptor: CADMIUM ION, Holliday junction resolvase
Authors:Li, N, Shi, K, Banerjee, S, Rao, T, Aihara, H.
Deposit date:2019-06-05
Release date:2020-04-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.081 Å)
Cite:Structural insights into the promiscuous DNA binding and broad substrate selectivity of fowlpox virus resolvase.
Sci Rep, 10, 2020
6P7B
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Crystal structure of Fowlpox virus resolvase and substrate Holliday junction DNA complex
Descriptor: DNA (29-MER), Holliday junction resolvase
Authors:Li, N, Shi, K, Rao, T, Banerjee, S, Aihara, H.
Deposit date:2019-06-05
Release date:2020-04-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.317 Å)
Cite:Structural insights into the promiscuous DNA binding and broad substrate selectivity of fowlpox virus resolvase.
Sci Rep, 10, 2020
6FHE
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Highly active enzymes by automated modular backbone assembly and sequence design
Descriptor: Synthetic construct
Authors:Lapidot, G, Khersonsky, O, Lipsh, R, Dym, O, Albeck, S, Rogotner, S, Fleishman, J.S.
Deposit date:2018-01-14
Release date:2018-07-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Highly active enzymes by automated combinatorial backbone assembly and sequence design.
Nat Commun, 9, 2018
5H9A
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BU of 5h9a by Molmil
Crystal structure of the Apo form of human cellular retinol binding protein 1
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Retinol-binding protein 1
Authors:Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S.
Deposit date:2015-12-26
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.381 Å)
Cite:Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures.
J.Biol.Chem., 291, 2016
5I9L
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BU of 5i9l by Molmil
Crystal structure of B. pseudomallei FabI in complex with NAD and PT404
Descriptor: 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ...
Authors:Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
Deposit date:2016-02-20
Release date:2017-02-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
6FFW
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Phosphotriesterase PTE_A53_5
Descriptor: (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-01-09
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.495 Å)
Cite:Phosphotriesterase PTE_A53_5
To Be Published
6FHF
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Highly active enzymes by automated modular backbone assembly and sequence design
Descriptor: Design, SODIUM ION
Authors:Lapidot, G, Khersonsky, O, Lipsh, R, Dym, O, Albeck, S, Rogotner, S, Fleishman, J.S.
Deposit date:2018-01-14
Release date:2018-07-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Highly active enzymes by automated combinatorial backbone assembly and sequence design.
Nat Commun, 9, 2018
6FHO
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BU of 6fho by Molmil
Crystal structure of pqsL, a probable FAD-dependent monooxygenase from Pseudomonas aeruginosa - new refinement
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Probable FAD-dependent monooxygenase
Authors:Belviso, B.D, Drees, S.L, Ernst, S, Jagmann, N, Hennecke, U, Fetzner, S.
Deposit date:2018-01-15
Release date:2018-04-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:PqsL uses reduced flavin to produce 2-hydroxylaminobenzoylacetate, a preferred PqsBC substrate in alkyl quinolone biosynthesis inPseudomonas aeruginosa.
J. Biol. Chem., 293, 2018
6FQE
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BU of 6fqe by Molmil
Phosphotriesterase PTE_A53_4
Descriptor: (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-02-14
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Phosphotriesterase PTE_A53_4
To Be Published
6FYH
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BU of 6fyh by Molmil
Disulfide between ubiquitin G76C and the E3 HECT ligase Huwe1
Descriptor: E3 ubiquitin-protein ligase HUWE1, Polyubiquitin-B, SULFATE ION, ...
Authors:Jaeckl, M, Hartmann, M.D, Wiesner, S.
Deposit date:2018-03-12
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.906 Å)
Cite:beta-Sheet Augmentation Is a Conserved Mechanism of Priming HECT E3 Ligases for Ubiquitin Ligation.
J. Mol. Biol., 430, 2018
4OTJ
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BU of 4otj by Molmil
The complex of murine cyclooxygenase-2 with a conjugate of indomefathin and podophyllotoxin, N-{(succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl}acetamide
Descriptor: (5S,5aS,8aS,9S)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J.
Deposit date:2014-02-13
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Antitumor Activity of Cytotoxic Cyclooxygenase-2 Inhibitors.
Acs Chem.Biol., 11, 2016
4O1Z
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BU of 4o1z by Molmil
Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ...
Authors:Xu, S, Hermanson, D.J, Banerjee, S, Ghebreselasie, K, Clayton, G.M, Garavito, R.M, Marnett, L.J.
Deposit date:2013-12-16
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
5VGL
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BU of 5vgl by Molmil
Crystal structure of lachrymatory factor synthase from Allium cepa
Descriptor: Lachrymatory-factor synthase
Authors:Silvaroli, J.A, Pleshinger, M.J, Banerjee, S, Kiser, P.D, Golczak, M.
Deposit date:2017-04-11
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enzyme That Makes You Cry-Crystal Structure of Lachrymatory Factor Synthase from Allium cepa.
ACS Chem. Biol., 12, 2017
5VGS
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BU of 5vgs by Molmil
Crystal structure of lachrymatory factor synthase from Allium cepa in complex with crotyl alcohol
Descriptor: (2E)-but-2-en-1-ol, (2Z)-but-2-en-1-ol, Lachrymatory-factor synthase
Authors:Silvaroli, J.A, Pleshinger, M.J, Banerjee, S, Kiser, P.D, Golczak, M.
Deposit date:2017-04-11
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Enzyme That Makes You Cry-Crystal Structure of Lachrymatory Factor Synthase from Allium cepa.
ACS Chem. Biol., 12, 2017
4OTY
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BU of 4oty by Molmil
Crystal structure of lumiracoxib bound to the apo-mouse-cyclooxygenase-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ...
Authors:Xu, S, Windsor, M.A, Banerjee, S, Marnett, L.J.
Deposit date:2014-02-14
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.354 Å)
Cite:Exploring the molecular determinants of substrate-selective inhibition of cyclooxygenase-2 by lumiracoxib.
Bioorg.Med.Chem.Lett., 23, 2013
3FK7
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BU of 3fk7 by Molmil
Crystal structure of TetR triple mutant (H64K, S135L, S138I) in complex with 4-ddma-atc
Descriptor: (4aS,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide, MAGNESIUM ION, Tetracycline repressor protein class B from transposon Tn10, ...
Authors:Klieber, M.A, Scholz, O, Lochner, S, Gmeiner, P, Hillen, W, Muller, Y.A.
Deposit date:2008-12-16
Release date:2009-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural origins for selectivity and specificity in an engineered bacterial repressor-inducer pair.
Febs J., 276, 2009
4EAW
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BU of 4eaw by Molmil
HCV NS5B in complex with IDX375
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-{(1S)-3-[(5S)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide, ...
Authors:Dousson, C.B, Paparin, J.-L, Surleraux, D, Augustin, M, Blaesse, M, Hoeppner, S, Krapp, S, Wenzkowski, C.
Deposit date:2012-03-22
Release date:2013-03-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:HCV NS5B in complex with IDX375
To be Published
4O6M
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BU of 4o6m by Molmil
Structure of AF2299, a CDP-alcohol phosphotransferase (CMP-bound)
Descriptor: AF2299, a CDP-alcohol phosphotransferase, CALCIUM ION, ...
Authors:Clarke, O.B, Sciara, G, Tomasek, D, Banerjee, S, Rajashankar, K.R, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2013-12-22
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Structural basis for catalysis in a CDP-alcohol phosphotransferase.
Nat Commun, 5, 2014
4O6N
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BU of 4o6n by Molmil
Structure of AF2299, a CDP-alcohol phosphotransferase (CDP-bound)
Descriptor: AF2299, a CDP-alcohol phosphotransferase, CALCIUM ION, ...
Authors:Clarke, O.B, Sciara, G, Tomasek, D, Banerjee, S, Rajashankar, K.R, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2013-12-22
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for catalysis in a CDP-alcohol phosphotransferase.
Nat Commun, 5, 2014
5HGJ
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BU of 5hgj by Molmil
Structure of integrin alpha1beta1 and alpha2beta1 I-domains explain differential calcium-mediated ligand recognition
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Brown, K.L, Banerjee, S, Feigley, A, Abe, H, Blackwell, T, Zent, R, Pozzi, A, Hudson, B.H.
Deposit date:2016-01-08
Release date:2017-04-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Salt-bridge modulates differential calcium-mediated ligand binding to integrin alpha 1- and alpha 2-I domains.
Sci Rep, 8, 2018
5HJ2
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BU of 5hj2 by Molmil
Integrin alpha2beta1 I-domain
Descriptor: CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Brown, K.L, Banerjee, S.
Deposit date:2016-01-12
Release date:2017-04-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Salt-bridge modulates differential calcium-mediated ligand binding to integrin alpha 1- and alpha 2-I domains.
Sci Rep, 8, 2018
6UL7
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BU of 6ul7 by Molmil
Structure of human ketohexokinase-C in complex with fructose, NO3, and osthole
Descriptor: 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one, Ketohexokinase, NITRATE ION, ...
Authors:Gasper, W.C, Gardner, S, Allen, K.N, Tolan, D.R.
Deposit date:2019-10-07
Release date:2021-04-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of human ketohexokinase-C in complex with fructose, NO3, and osthole
To be Published

221716

건을2024-06-26부터공개중

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