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6YIC
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BU of 6yic by Molmil
14-3-3 sigma in complex with SMAD4 pS403 peptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, GLYCEROL, ...
Authors:Kiehstaller, S, Graf, S, Hennig, S.
Deposit date:2020-04-01
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification and characterization of 14-3-3/SMAD protein-protein-interactions
To Be Published
6YIZ
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BU of 6yiz by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with triazolo-pyridine inverse agonist A
Descriptor: 7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid, MAGNESIUM ION, Transcriptional regulator MvfR, ...
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2020-04-01
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.163 Å)
Cite:A New PqsR Inverse Agonist Potentiates Tobramycin Efficacy to Eradicate Pseudomonas aeruginosa Biofilms.
Adv Sci, 8, 2021
6YRV
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BU of 6yrv by Molmil
Crystal structure of FAP after illumination at 100K
Descriptor: CARBON DIOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid Photodecarboxylase, ...
Authors:Sorigue, D, Gotthard, G, Blangy, S, Nurizzo, D, Royant, A, Beisson, F, Arnoux, P.
Deposit date:2020-04-20
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
6YS2
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BU of 6ys2 by Molmil
Crystal structure of FAP R451A in the dark at 100K
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid Photodecarboxylase, STEARIC ACID
Authors:Sorigue, D, Gotthard, G, Blangy, S, Nurizzo, D, Royant, A, Beisson, F, Arnoux, P.
Deposit date:2020-04-20
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
6YRU
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BU of 6yru by Molmil
Crystal structure of FAP in the dark at 100K
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid Photodecarboxylase, STEARIC ACID
Authors:Sorigue, D, Gotthard, G, Blangy, S, Nurizzo, D, Royant, A, Beisson, F, Arnoux, P.
Deposit date:2020-04-20
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
5AHE
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BU of 5ahe by Molmil
Crystal structure of Salmonella enterica HisA
Descriptor: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Soderholm, A, Guo, X, Newton, M.S, Evans, G.B, Nasvall, J, Patrick, W.M, Selmer, M.
Deposit date:2015-02-05
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Two-Step Ligand Binding in a Beta/Alpha8 Barrel Enzyme -Substrate-Bound Structures Shed New Light on the Catalytic Cycle of Hisa
J.Biol.Chem., 290, 2015
6YRX
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BU of 6yrx by Molmil
Low-dose crystal structure of FAP at room temperature
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid Photodecarboxylase, STEARIC ACID
Authors:Sorigue, D, Gotthard, G, Blangy, S, Nurizzo, D, Royant, A, Beisson, F, Arnoux, P.
Deposit date:2020-04-20
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
6YON
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BU of 6yon by Molmil
Crystal structure of Endoglucanase S127C/A165C from Penicillium verruculosum
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoglucanase, SULFATE ION
Authors:Nemashkalov, V, Kravchenko, O, Gabdulkhakov, A, Tischenko, S, Rozhkova, A, Sinitsyn, A.
Deposit date:2020-04-14
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Endoglucanase S127C/A165C from Penicillium verruculosum
To Be Published
6YRZ
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BU of 6yrz by Molmil
Crystal structure of FAP et pH 8.5 after illumination at 150K
Descriptor: CARBON DIOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, ...
Authors:Sorigue, D, Legrand, P, Blangy, S, Beisson, F, Arnoux, P.
Deposit date:2020-04-20
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.824 Å)
Cite:Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
6YS1
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BU of 6ys1 by Molmil
Crystal structure of FAP R451K mutant in the dark at 100K
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid Photodecarboxylase, STEARIC ACID, ...
Authors:Sorigue, D, Gotthard, G, Blangy, S, Nurizzo, D, Royant, A, Beisson, F, Arnoux, P.
Deposit date:2020-04-20
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
2BCE
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BU of 2bce by Molmil
CHOLESTEROL ESTERASE FROM BOS TAURUS
Descriptor: CHOLESTEROL ESTERASE
Authors:Chen, J.C.-H, Miercke, L.J.W, Krucinski, J, Starr, J.R, Saenz, G, Wang, X, Spilburg, C.A, Lange, L.G, Ellsworth, J.L, Stroud, R.M.
Deposit date:1998-01-28
Release date:1999-02-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of bovine pancreatic cholesterol esterase at 1.6 A: novel structural features involved in lipase activation.
Biochemistry, 37, 1998
7VKE
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BU of 7vke by Molmil
Crystal structure of human CD38 ECD in complex with UniDab(TM) F11A
Descriptor: 1,2-ETHANEDIOL, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, CHLORIDE ION, ...
Authors:Schooten, W.V, Schellenberger, U, Ugamraj, H.S, Manicka, S, Bijpuria, S, Gondu, R.K.
Deposit date:2021-09-29
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:TNB-738, a biparatopic antibody, boosts intracellular NAD+ by inhibiting CD38 ecto-enzyme activity.
Mabs, 14, 2022
5A5W
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BU of 5a5w by Molmil
Crystal structure of Salmonella enterica HisA D7N D176A with ProFAR
Descriptor: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Authors:Soderholm, A, Guo, X, Newton, M.S, Evans, G.B, Nasvall, J, Patrick, W.M, Selmer, M.
Deposit date:2015-06-23
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Two-Step Ligand Binding in a Beta/Alpha8 Barrel Enzyme -Substrate-Bound Structures Shed New Light on the Catalytic Cycle of Hisa
J.Biol.Chem., 290, 2015
6RQ9
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BU of 6rq9 by Molmil
CYP121 in complex with O-methyl dicyclotyrosine
Descriptor: (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ...
Authors:Poddar, H, Levy, C.
Deposit date:2019-05-15
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
6YD1
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BU of 6yd1 by Molmil
SaFtsZ-DFMBA
Descriptor: 2,6-difluoro-3-methoxybenzamide, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
Deposit date:2020-03-20
Release date:2021-07-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Targeting the FtsZ Allosteric Binding Site with a Novel Fluorescence Polarization Screen, Cytological and Structural Approaches for Antibacterial Discovery.
J.Med.Chem., 64, 2021
6YD6
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BU of 6yd6 by Molmil
SaFtsZ-UCM152 (comp.20)
Descriptor: 1,2-ETHANEDIOL, 1-methylpyrrolidin-2-one, 2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide, ...
Authors:Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
Deposit date:2020-03-20
Release date:2021-07-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Targeting the FtsZ Allosteric Binding Site with a Novel Fluorescence Polarization Screen, Cytological and Structural Approaches for Antibacterial Discovery.
J.Med.Chem., 64, 2021
6YD5
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BU of 6yd5 by Molmil
SaFtsZ-UCM151 (comp. 18)
Descriptor: 1,2-ETHANEDIOL, 1-methylpyrrolidin-2-one, 3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide, ...
Authors:Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
Deposit date:2020-03-20
Release date:2021-07-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Targeting the FtsZ Allosteric Binding Site with a Novel Fluorescence Polarization Screen, Cytological and Structural Approaches for Antibacterial Discovery.
J.Med.Chem., 64, 2021
6T8C
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BU of 6t8c by Molmil
Crystal structure of formate dehydrogenase FDH2 enzyme from Granulicella mallensis MP5ACTX8 in the apo form.
Descriptor: Formate dehydrogenase
Authors:Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L.
Deposit date:2019-10-24
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:From the Amelioration of a NADP+-dependent Formate Dehydrogenase to the Discovery of a New Enzyme: Round Trip from Theory to Practice
Chemcatchem, 2020
6WGW
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BU of 6wgw by Molmil
CYP101D1 D259E Hydroxycamphor bound
Descriptor: 5-EXO-HYDROXYCAMPHOR, CAMPHOR, Cytochrome P450 101D1, ...
Authors:Amaya, J.A, Poulos, T.L, Batabyal, D.
Deposit date:2020-04-06
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Biochemistry, 59, 2020
6WEV
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BU of 6wev by Molmil
Crystal structures of human E-NPP 1: bound to N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Peat, T.S, Dennis, M, Newman, J.
Deposit date:2020-04-03
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
7BDW
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BU of 7bdw by Molmil
Crystal structure of mycobacterial PptAb in complex with ACP and compound 8918
Descriptor: COENZYME A, MANGANESE (II) ION, N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea, ...
Authors:Carivenc, C, Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2020-12-22
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
6WJ6
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BU of 6wj6 by Molmil
Cryo-EM structure of apo-Photosystem II from Synechocystis sp. PCC 6803
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Gisriel, C.J.
Deposit date:2020-04-12
Release date:2020-08-26
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Cryo-EM Structure of Monomeric Photosystem II from Synechocystis sp. PCC 6803 Lacking the Water-Oxidation Complex
Joule, 2020
6WXC
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BU of 6wxc by Molmil
Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with potential repurposing drug Tipiracil
Descriptor: 1,2-ETHANEDIOL, 5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL, FORMIC ACID, ...
Authors:Kim, Y, Maltseva, N, Jedrzejczak, R, Welk, L, Endres, M, Chang, C, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-05-10
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
6X1Q
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BU of 6x1q by Molmil
1.8 Angstrom resolution structure of b-galactosidase with a 200 kV cryoARM electron microscope
Descriptor: Beta-galactosidase, MAGNESIUM ION, SODIUM ION
Authors:Merk, A, Fukumura, T, Zhu, X, Darling, J, Grisshammer, R, Ognjenovic, J, Subramaniam, S.
Deposit date:2020-05-19
Release date:2020-07-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (1.8 Å)
Cite:1.8 angstrom resolution structure of beta-galactosidase with a 200 kV CRYO ARM electron microscope.
Iucrj, 7, 2020
5APZ
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BU of 5apz by Molmil
Thermosinus carboxydivorans Nor1 Tcar0761 residues 68-101 and 191-211 fused to GCN4 adaptors
Descriptor: GENERAL CONTROL PROTEIN GCN4, NOR1 TCAR0761
Authors:Hartmann, M.D, Deiss, S, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2015-09-17
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:alpha / beta coiled coils.
Elife, 5, 2016

222415

数据于2024-07-10公开中

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