7BW2
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![BU of 7bw2 by Molmil](/molmil-images/mine/7bw2) | Crystal Structure of Cyanobacterial PSI Monomer from T.elongatus at 6.5 A Resolution | Descriptor: | Photosystem I 4.8K protein, Photosystem I P700 chlorophyll a apoprotein A1, Photosystem I P700 chlorophyll a apoprotein A2, ... | Authors: | Kurisu, G, Coruh, O, Tanaka, H, Eithar, E.M, Mian, Y. | Deposit date: | 2020-04-13 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (6.5 Å) | Cite: | Cryo-EM structure of a functional monomeric Photosystem I from Thermosynechococcus elongatus reveals red chlorophyll cluster. Commun Biol, 4, 2021
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4JQ3
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![BU of 4jq3 by Molmil](/molmil-images/mine/4jq3) | AKR1C2 complex with zomepirac | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, L(+)-TARTARIC ACID, ... | Authors: | Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | Deposit date: | 2013-03-19 | Release date: | 2014-04-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis of NSAID selectivity for the aldo-keto reductase 1C family To be Published
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6NG7
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![BU of 6ng7 by Molmil](/molmil-images/mine/6ng7) | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-fluoro-5-(2-((2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, Nitric oxide synthase, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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4JR7
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![BU of 4jr7 by Molmil](/molmil-images/mine/4jr7) | Crystal structure of scCK2 alpha in complex with GMPPNP | Descriptor: | Casein kinase II subunit alpha, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Liu, H. | Deposit date: | 2013-03-21 | Release date: | 2014-03-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway. Acta Crystallogr.,Sect.D, 70, 2014
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6NGH
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![BU of 6ngh by Molmil](/molmil-images/mine/6ngh) | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with (S)-6-(2,3-difluoro-5-(2-(1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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6O2P
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![BU of 6o2p by Molmil](/molmil-images/mine/6o2p) | Complex of ivacaftor with cystic fibrosis transmembrane conductance regulator (CFTR) | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | Authors: | Liu, F, Zhang, Z, Chen, J, Levit, A, Shoichet, B. | Deposit date: | 2019-02-24 | Release date: | 2019-06-26 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural identification of a hotspot on CFTR for potentiation. Science, 364, 2019
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4JRQ
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6NGU
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![BU of 6ngu by Molmil](/molmil-images/mine/6ngu) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-2,5-difluorophenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-2,5-difluorophenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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4JS9
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![BU of 4js9 by Molmil](/molmil-images/mine/4js9) | Structural Characterization of Inducible Nitric Oxide Synthase Substituted With Mesoheme | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, Mesoheme, Nitric oxide synthase, ... | Authors: | Hannibal, L, Page, R.C, Bolisetty, K, Yu, Z, Misra, S, Stuehr, D.J. | Deposit date: | 2013-03-22 | Release date: | 2014-04-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.784 Å) | Cite: | Kinetic and Structural Characterization of Inducible Nitric Oxide Synthase Substituted With Mesoheme To be Published
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6NH6
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![BU of 6nh6 by Molmil](/molmil-images/mine/6nh6) | Structure of the human endothelial nitric oxide synthase heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-2,6-difluorophenethyl)-4-methylpyridin-2-amine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.189 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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3HSO
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![BU of 3hso by Molmil](/molmil-images/mine/3hso) | Ternary structure of neuronal nitric oxide synthase with NHA and NO bound(1) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-OMEGA-HYDROXY-L-ARGININE, ... | Authors: | Doukov, T, Li, H, Soltis, M, Poulos, T.L. | Deposit date: | 2009-06-10 | Release date: | 2009-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Single crystal structural and absorption spectral characterizations of nitric oxide synthase complexed with N(omega)-hydroxy-L-arginine and diatomic ligands. Biochemistry, 48, 2009
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6O3T
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![BU of 6o3t by Molmil](/molmil-images/mine/6o3t) | Structural basis of FOXC2 and DNA interactions | Descriptor: | DNA (5'-D(*AP*AP*AP*TP*TP*GP*TP*TP*TP*AP*TP*AP*AP*AP*CP*AP*GP*CP*CP*CP*G)-3'), DNA (5'-D(*TP*TP*CP*GP*GP*GP*CP*TP*GP*TP*TP*TP*AP*TP*AP*AP*AP*CP*AP*AP*T)-3'), Forkhead box protein C2 | Authors: | Nam, H.-J, Li, S. | Deposit date: | 2019-02-27 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Crystal Structure of FOXC2 in Complex with DNA Target. Acs Omega, 4, 2019
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6NBC
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7BRI
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![BU of 7bri by Molmil](/molmil-images/mine/7bri) | |
6YN4
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![BU of 6yn4 by Molmil](/molmil-images/mine/6yn4) | Structure of D169A/E171A double mutant of chitinase Chit42 from Trichoderma harzianum complexed with chitintetraose. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Jimenez-Ortega, E, Sanz-Aparicio, J. | Deposit date: | 2020-04-10 | Release date: | 2021-10-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural inspection and protein motions modelling of a fungal glycoside hydrolase family 18 chitinase by crystallography depicts a dynamic enzymatic mechanism Comput Struct Biotechnol J, 19, 2021
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7BRJ
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6YLJ
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![BU of 6ylj by Molmil](/molmil-images/mine/6ylj) | Structure of D169A/E171A double mutant of chitinase Chit42 from Trichoderma harzianum complexed with chitinhexaose. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Endochitinase 42, ... | Authors: | Jimenez-Ortega, E, Sanz-Aparicio, J. | Deposit date: | 2020-04-07 | Release date: | 2021-10-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural inspection and protein motions modelling of a fungal glycoside hydrolase family 18 chitinase by crystallography depicts a dynamic enzymatic mechanism Comput Struct Biotechnol J, 19, 2021
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7BRG
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7BRH
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![BU of 7brh by Molmil](/molmil-images/mine/7brh) | |
7BRL
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![BU of 7brl by Molmil](/molmil-images/mine/7brl) | |
4HKS
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7BRK
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4L1W
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![BU of 4l1w by Molmil](/molmil-images/mine/4l1w) | Crystal Structuer of Human 3-alpha Hydroxysteroid Dehydrogenase Type 3 in Complex with NADP+ and Progesterone | Descriptor: | Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE, ... | Authors: | Zhang, B, Hu, X.-J, Lin, S.-X. | Deposit date: | 2013-06-03 | Release date: | 2014-04-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Human 3-alpha hydroxysteroid dehydrogenase type 3 (3 alpha-HSD3): The V54L mutation restricting the steroid alternative binding and enhancing the 20 alpha-HSD activity J.Steroid Biochem.Mol.Biol., 141, 2014
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3IWU
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![BU of 3iwu by Molmil](/molmil-images/mine/3iwu) | Crystal structure of Y116T/I16A double mutant of 5-hydroxyisourate hydrolase | Descriptor: | 5-hydroxyisourate hydrolase | Authors: | Cendron, L, Ramazzina, I, Berni, R, Percudani, R, Zanotti, G. | Deposit date: | 2009-09-03 | Release date: | 2010-09-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Probing the evolution of hydroxyisourate hydrolase into transthyretin through active-site redesign. J.Mol.Biol., 409, 2011
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7KBY
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![BU of 7kby by Molmil](/molmil-images/mine/7kby) | Artificial Metalloproteins with Dinuclear Iron Centers | Descriptor: | ACETATE ION, CYANIDE ION, Streptavidin, ... | Authors: | Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S. | Deposit date: | 2020-10-03 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers. J.Am.Chem.Soc., 143, 2021
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