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7ZKV
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BU of 7zkv by Molmil
F231A variant of the CODH/ACS complex of C. hydrogenoformans
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, CO-methylating acetyl-CoA synthase, ...
著者Ruickoldt, J, Jeoung, J.-H, Basak, Y, Domnik, L, Dobbek, H.
登録日2022-04-13
公開日2022-11-02
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.066 Å)
主引用文献Coupling CO2 Reduction and Acetyl-CoA Formation: The Role of a CO Capturing Tunnel in Enzymatic Catalysis.
Angew.Chem.Int.Ed.Engl., 2024
6B2D
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BU of 6b2d by Molmil
Crystal structure of fluoride channel Fluc Ec2 T114S Mutant
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, FLUORIDE ION, Fluoride ion transporter CrcB, ...
著者Last, N.B, Sun, S, Pham, M.C, Miller, C.
登録日2017-09-19
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Molecular determinants of permeation in a fluoride-specific ion channel.
Elife, 6, 2017
6B4X
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BU of 6b4x by Molmil
Schistosoma mansoni (Blood Fluke) Sulfotransferase, F39Y Mutant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3'-5'-DIPHOSPHATE, SODIUM ION, ...
著者Taylor, A.B.
登録日2017-09-27
公開日2018-10-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum?
Int.J.Parasitol., 2020
6SR1
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BU of 6sr1 by Molmil
X-ray pump X-ray probe on lysozyme.Gd nanocrystals: 35 fs time delay
分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
著者Kloos, M, Gorel, A, Nass, K.
登録日2019-09-04
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
5FOZ
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BU of 5foz by Molmil
De novo structure of the binary mosquito larvicide BinAB at pH 10
分子名称: LARVICIDAL TOXIN PROTEIN, SODIUM ION, TOXIN
著者Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
登録日2015-11-26
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
6B7U
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BU of 6b7u by Molmil
Structure of hen egg-white lysozyme without high-pressure pre-treatment
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Morais, M.A.B, Nascimento, A.F.Z, Tominaga, C.Y, Cristianini, M, Tribst, A.A.L, Murakami, M.T.
登録日2017-10-05
公開日2018-07-25
実験手法X-RAY DIFFRACTION (1.581 Å)
主引用文献How high pressure pre-treatments affect the function and structure of hen egg-white lysozyme
Innov Food Sci Emerg Technol, 47, 2018
5FRC
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BU of 5frc by Molmil
Structure of urate oxidase prepared by the 'soak-and-freeze' method under 42 bar of oxygen pressure
分子名称: 8-AZAXANTHINE, OXYGEN MOLECULE, SODIUM ION, ...
著者Lafumat, B, Mueller-Dieckmann, C, Colloc'h, N, Prange, T, Royant, A, van der Linden, P, Carpentier, P.
登録日2015-12-16
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.443 Å)
主引用文献Gas-Sensitive Biological Crystals Processed in Pressurized Oxygen and Krypton Atmospheres: Deciphering Gas Channels in Proteins Using a Novel `Soak-and-Freeze' Methodology.
J.Appl.Crystallogr., 49, 2016
6BFG
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BU of 6bfg by Molmil
Crystal structure of monotopic membrane protein (S)-mandelate dehydrogenase
分子名称: (S)-mandelate dehydrogenase, 1,2-ETHANEDIOL, CITRIC ACID, ...
著者Sukumar, N.
登録日2017-10-26
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the monotopic membrane protein (S)-mandelate dehydrogenase at 2.2 angstrom resolution.
Biochimie, 154, 2018
6SDL
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BU of 6sdl by Molmil
Human Carbonic Anhydrase II in complex with (R)-N-(3-(1H-indol-1-yl)-2-methylpropyl)-4-sulfamoylbenzamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, Carbonic anhydrase 2, ...
著者Gloeckner, S, Gerber, H.D, Heine, A, Klebe, G.
登録日2019-07-28
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Human Carbonic Anhydrase II in complex with (R)-N-(3-(1H-indol-1-yl)-2-methylpropyl)-4-sulfamoylbenzamide
To Be Published
5G01
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BU of 5g01 by Molmil
An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C
分子名称: CARBONIC ANHYDRASE 2, PSAMMAPLIN C, SODIUM ION, ...
著者Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A.
登録日2016-03-16
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C.
J.Med.Chem., 59, 2016
6BEA
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BU of 6bea by Molmil
Crystal structure of the autotransporter UpaB from E. coli strain CFT073
分子名称: Autotransporter protein UpaB, CALCIUM ION, CHLORIDE ION, ...
著者Paxman, J.J, Heras, B.
登録日2017-10-25
公開日2019-04-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Unique structural features of a bacterial autotransporter adhesin suggest mechanisms for interaction with host macromolecules.
Nat Commun, 10, 2019
6SG6
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BU of 6sg6 by Molmil
Human Carbonic Anhydrase II in complex with furan-containing benzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-08-02
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Human Carbonic Anhydrase II in complex with furan-containing benzenesulfonamide
To Be Published
6SEZ
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BU of 6sez by Molmil
X-ray structure of the gold/lysozyme adduct formed upon 24h exposure of protein crystals to compound 1
分子名称: 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ...
著者Ferraro, G, Giorgio, A, Merlino, A.
登録日2019-07-30
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Protein-mediated disproportionation of Au(i): insights from the structures of adducts of Au(iii) compounds bearing N,N-pyridylbenzimidazole derivatives with lysozyme.
Dalton Trans, 48, 2019
6SR0
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BU of 6sr0 by Molmil
X-ray pump X-ray probe on lysozyme.Gd nanocrystals: single colour reference data
分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
著者Kloos, M, Gorel, A, Nass, K.
登録日2019-09-04
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
6AWY
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BU of 6awy by Molmil
Structure of peanut allergen Ara h 8.01.
分子名称: Ara h 8 allergen, SODIUM ION, SULFATE ION
著者Offermann, L.R, Yarbrough, J, McBride, J, Hurlburt, B.K, Maleki, S.J, Pote, S.S, Chruszcz, M.
登録日2017-09-06
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of PR-10 Allergen Ara h 8.01.
To Be Published
6AY3
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BU of 6ay3 by Molmil
CREBBP bromodomain in complex with Cpd16 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1H-indole-3-carboxamide)
分子名称: 1,2-ETHANEDIOL, 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide, CREB-binding protein, ...
著者Murray, J.M.
登録日2017-09-07
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6B2A
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BU of 6b2a by Molmil
Crystal structure of fluoride channel Fluc Ec2 F80M Mutant
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, FLUORIDE ION, Fluoride ion transporter CrcB, ...
著者Last, N.B, Sun, S, Pham, M.C, Miller, C.
登録日2017-09-19
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Molecular determinants of permeation in a fluoride-specific ion channel.
Elife, 6, 2017
1SAZ
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BU of 1saz by Molmil
Membership in the ASKHA Superfamily: Enzymological Properties and Crystal Structure of Butyrate Kinase 2 from Thermotoga maritima
分子名称: FORMIC ACID, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Probable butyrate kinase 2, ...
著者Diao, J, Cooper, D.R, Sanders, D.A, Hasson, M.S.
登録日2004-02-09
公開日2005-03-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of butyrate kinase 2 from Thermotoga maritima, a member of the ASKHA superfamily of phosphotransferases.
J.Bacteriol., 191, 2009
5FH1
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BU of 5fh1 by Molmil
The structure of rat cytosolic PEPCK variant E89D in complex with GTP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
著者Johnson, T.A, Holyoak, T.
登録日2015-12-21
公開日2016-12-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Utilization of Substrate Intrinsic Binding Energy for Conformational Change and Catalytic Function in Phosphoenolpyruvate Carboxykinase.
Biochemistry, 55, 2016
5F81
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BU of 5f81 by Molmil
Acoustic injectors for drop-on-demand serial femtosecond crystallography
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A.
登録日2015-12-08
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
6SR2
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BU of 6sr2 by Molmil
X-ray pump X-ray probe on lysozyme.Gd nanocrystals: 37 fs time delay
分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
著者Kloos, M, Gorel, A, Nass, K.
登録日2019-09-04
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
1AG9
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BU of 1ag9 by Molmil
FLAVODOXINS THAT ARE REQUIRED FOR ENZYME ACTIVATION: THE STRUCTURE OF OXIDIZED FLAVODOXIN FROM ESCHERICHIA COLI AT 1.8 ANGSTROMS RESOLUTION.
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者Hoover, D.M, Ludwig, M.L.
登録日1997-04-04
公開日1997-12-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A flavodoxin that is required for enzyme activation: the structure of oxidized flavodoxin from Escherichia coli at 1.8 A resolution.
Protein Sci., 6, 1997
6B3T
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BU of 6b3t by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with a 1,2,4-triazino[5,6b]indole-3-thioether inhibitor analogue 39b
分子名称: 8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole, COENZYME A, N-acetyltransferase Eis, ...
著者Gajadeera, C.S, Hou, C, Garneau-Tsodikova, S, Ngo, H.X, Tsodikov, O.V.
登録日2017-09-24
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Potent 1,2,4-Triazino[5,6 b]indole-3-thioether Inhibitors of the Kanamycin Resistance Enzyme Eis from Mycobacterium tuberculosis.
ACS Infect Dis, 4, 2018
5FCC
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BU of 5fcc by Molmil
Structure of HutD from Pseudomonas fluorescens SBW25 (NaCl condition)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, HutD, ...
著者Johnston, J.M, Gerth, M.L, Baker, E.N, Lott, J.S, Rainey, P.B.
登録日2015-12-15
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structure of HutD from Pseudomonas fluorescens
To Be Published
2BQD
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BU of 2bqd by Molmil
CONTRIBUTION OF HYDROPHOBIC EFFECT TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME
分子名称: LYSOZYME, SODIUM ION
著者Takano, K, Yamagata, Y, Yutani, K.
登録日1998-05-21
公開日1998-08-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A general rule for the relationship between hydrophobic effect and conformational stability of a protein: stability and structure of a series of hydrophobic mutants of human lysozyme.
J.Mol.Biol., 280, 1998

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