4LUD
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![BU of 4lud by Molmil](/molmil-images/mine/4lud) | Crystal Structure of HCK in complex with the fluorescent compound SKF86002 | Descriptor: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, CHLORIDE ION, ... | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-25 | Release date: | 2014-02-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr.,Sect.D, 70, 2014
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3WSP
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![BU of 3wsp by Molmil](/molmil-images/mine/3wsp) | Crystal Structure of P450BM3 with N-perfluorononanoyl-L-tryptophan | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)-L-tryptophan, ... | Authors: | Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2014-03-20 | Release date: | 2014-11-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Activation of Wild-type Cytochrome P450BM3 by the Next Generation of Decoy Molecules: Enhanced Hydroxylation of Gaseous Alkanes and Crystallographic Evidence. ACS CATALYSIS, 5, 2015
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3W8O
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![BU of 3w8o by Molmil](/molmil-images/mine/3w8o) | Crystal Structure of HasAp with Iron Phthalocyanine | Descriptor: | Heme acquisition protein HasAp, [29H,31H-phthalocyaninato(2-)-kappa~4~N~29~,N~30~,N~31~,N~32~]iron | Authors: | Shirataki, C, Shoji, O, Terada, M, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2013-03-20 | Release date: | 2014-01-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Inhibition of Heme Uptake in Pseudomonas aeruginosa by its Hemophore (HasAp ) Bound to Synthetic Metal Complexes Angew.Chem.Int.Ed.Engl., 53, 2014
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3W8M
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![BU of 3w8m by Molmil](/molmil-images/mine/3w8m) | Crystal Structure of HasAp with Iron Salophen | Descriptor: | 2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON, Heme acquisition protein HasAp | Authors: | Shirataki, C, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2013-03-19 | Release date: | 2014-01-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Inhibition of Heme Uptake in Pseudomonas aeruginosa by its Hemophore (HasAp ) Bound to Synthetic Metal Complexes Angew.Chem.Int.Ed.Engl., 53, 2014
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3WAH
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![BU of 3wah by Molmil](/molmil-images/mine/3wah) | Crystal Structure of HasAp with Iron MesoporphyrinIX | Descriptor: | Heme acquisition protein HasAp, Mesoheme | Authors: | Shirataki, C, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2013-05-02 | Release date: | 2014-01-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Inhibition of Heme Uptake in Pseudomonas aeruginosa by its Hemophore (HasAp ) Bound to Synthetic Metal Complexes Angew.Chem.Int.Ed.Engl., 53, 2014
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3AWM
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![BU of 3awm by Molmil](/molmil-images/mine/3awm) | Cytochrome P450SP alpha (CYP152B1) wild-type with palmitic acid | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Fatty acid alpha-hydroxylase, PALMITIC ACID, ... | Authors: | Fujishiro, T, Shoji, O, Nagano, S, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2011-03-25 | Release date: | 2011-06-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of H2O2-dependent cytochrome P450SPalpha with its bound fatty acid substrate: insight into the regioselective hydroxylation of fatty acids at the alpha position J.Biol.Chem., 286, 2011
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3AWP
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![BU of 3awp by Molmil](/molmil-images/mine/3awp) | Cytochrome P450SP alpha (CYP152B1) mutant F288G | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Fatty acid alpha-hydroxylase, PALMITIC ACID, ... | Authors: | Fujishiro, T, Shoji, O, Nagano, S, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2011-03-25 | Release date: | 2011-06-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of H2O2-dependent cytochrome P450SPalpha with its bound fatty acid substrate: insight into the regioselective hydroxylation of fatty acids at the alpha position. J.Biol.Chem., 286, 2011
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3AWQ
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![BU of 3awq by Molmil](/molmil-images/mine/3awq) | Cytochrome P450SP alpha (CYP152B1) mutant L78F | Descriptor: | Fatty acid alpha-hydroxylase, PALMITIC ACID, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Fujishiro, T, Shoji, O, Nagano, S, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2011-03-25 | Release date: | 2011-06-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of H2O2-dependent cytochrome P450SPalpha with its bound fatty acid substrate: insight into the regioselective hydroxylation of fatty acids at the alpha position. J.Biol.Chem., 286, 2011
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1QVR
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![BU of 1qvr by Molmil](/molmil-images/mine/1qvr) | Crystal Structure Analysis of ClpB | Descriptor: | ClpB protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PLATINUM (II) ION | Authors: | Lee, S, Sowa, M.E, Watanabe, Y, Sigler, P.B, Chiu, W, Yoshida, M, Tsai, F.T.F. | Deposit date: | 2003-08-28 | Release date: | 2003-10-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Structure of ClpB: A Molecular Chaperone that Rescues Proteins from an Aggregated State Cell(Cambridge,Mass.), 115, 2003
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5X1C
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![BU of 5x1c by Molmil](/molmil-images/mine/5x1c) | |
1Z7N
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![BU of 1z7n by Molmil](/molmil-images/mine/1z7n) | ATP Phosphoribosyl transferase (HisZG ATP-PRTase) from Lactococcus lactis with bound PRPP substrate | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, ... | Authors: | Champagne, K.S, Sissler, M, Larrabee, Y, Doublie, S, Francklyn, C.S. | Deposit date: | 2005-03-25 | Release date: | 2005-08-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Activation of the hetero-octameric ATP phosphoribosyl transferase through subunit interface rearrangement by a tRNA synthetase paralog. J.Biol.Chem., 280, 2005
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5X1D
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5X1A
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![BU of 5x1a by Molmil](/molmil-images/mine/5x1a) | |
3AUA
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![BU of 3aua by Molmil](/molmil-images/mine/3aua) | Crystal structure of the quaternary complex-2 of an isomerase | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[ethanoyl(hydroxy)amino]propylphosphonic acid, CALCIUM ION, ... | Authors: | Umeda, T, Tanaka, N, Kusakabe, Y, Nakanishi, M, Kitade, Y, Nakamura, K.T. | Deposit date: | 2011-02-01 | Release date: | 2011-08-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Molecular basis of fosmidomycin's action on the human malaria parasite Plasmodium falciparum Sci Rep, 1, 2011
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3AU8
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![BU of 3au8 by Molmil](/molmil-images/mine/3au8) | Crystal structure of the ternary complex of an isomerase | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Umeda, T, Tanaka, N, Kusakabe, Y, Nakanishi, M, Kitade, Y, Nakamura, K.T. | Deposit date: | 2011-02-01 | Release date: | 2011-08-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Molecular basis of fosmidomycin's action on the human malaria parasite Plasmodium falciparum Sci Rep, 1, 2011
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3AU9
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![BU of 3au9 by Molmil](/molmil-images/mine/3au9) | Crystal structure of the quaternary complex-1 of an isomerase | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, CALCIUM ION, ... | Authors: | Umeda, T, Tanaka, N, Kusakabe, Y, Nakanishi, M, Kitade, Y, Nakamura, K.T. | Deposit date: | 2011-02-01 | Release date: | 2011-08-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis of fosmidomycin's action on the human malaria parasite Plasmodium falciparum Sci Rep, 1, 2011
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1Z7M
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![BU of 1z7m by Molmil](/molmil-images/mine/1z7m) | ATP Phosphoribosyl transferase (HisZG ATP-PRTase) from Lactococcus lactis | Descriptor: | ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, PHOSPHATE ION, ... | Authors: | Champagne, K.S, Sissler, M, Larrabee, Y, Doublie, S, Francklyn, C.S. | Deposit date: | 2005-03-25 | Release date: | 2005-08-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Activation of the hetero-octameric ATP phosphoribosyl transferase through subunit interface rearrangement by a tRNA synthetase paralog. J.Biol.Chem., 280, 2005
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1J3F
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![BU of 1j3f by Molmil](/molmil-images/mine/1j3f) | Crystal Structure of an Artificial Metalloprotein:Cr(III)(3,3'-Me2-salophen)/apo-A71G Myoglobin | Descriptor: | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-BENZENE-1,2-DIAMINE', CHROMIUM ION, Myoglobin, ... | Authors: | Koshiyama, T, Kono, M, Ohashi, M, Ueno, T, Suzuki, A, Yamane, T, Watanabe, Y. | Deposit date: | 2003-01-24 | Release date: | 2004-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Coordinated Design of Cofactor and Active Site Structures in Development of New Protein Catalysts J.Am.Chem.Soc., 127, 2005
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7WWX
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![BU of 7wwx by Molmil](/molmil-images/mine/7wwx) | Crystal structure of Herbaspirillum huttiense L-arabinose 1-dehydrogenase (NAD bound form) | Descriptor: | DI(HYDROXYETHYL)ETHER, NAD(P)-dependent dehydrogenase (Short-subunit alcohol dehydrogenase family), NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Matsubara, R, Yoshiwara, K, Watanabe, Y, Watanabe, S. | Deposit date: | 2022-02-14 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Crystal structure of L-arabinose 1-dehydrogenase as a short-chain reductase/dehydrogenase protein. Biochem.Biophys.Res.Commun., 604, 2022
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7Y9P
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![BU of 7y9p by Molmil](/molmil-images/mine/7y9p) | Xylitol dehydrogenase S96C/S99C/Y102C mutant(thermostabilized form) from Pichia stipitis | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | Authors: | Yoshiwara, K, Watanabe, Y, Watanabe, S. | Deposit date: | 2022-06-25 | Release date: | 2023-02-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular evolutionary insight of structural zinc atom in yeast xylitol dehydrogenases and its application in bioethanol production by lignocellulosic biomass. Sci Rep, 13, 2023
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5AYF
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![BU of 5ayf by Molmil](/molmil-images/mine/5ayf) | Crystal structure of SET7/9 in complex with cyproheptadine | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine, Histone-lysine N-methyltransferase SETD7, ... | Authors: | Niwa, H, Handa, N, Takemoto, Y, Ito, A, Tomabechi, Y, Umehara, T, Shirouzu, M, Yoshida, M, Yokoyama, S. | Deposit date: | 2015-08-20 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | Identification of Cyproheptadine as an Inhibitor of SET Domain Containing Lysine Methyltransferase 7/9 (Set7/9) That Regulates Estrogen-Dependent Transcription J.Med.Chem., 59, 2016
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7ECD
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![BU of 7ecd by Molmil](/molmil-images/mine/7ecd) | Crystal structure of Tam41 from Firmicutes bacterium, complex with CTP-Mg | Descriptor: | BROMIDE ION, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Kimura, K, Kawai, F, Kubota-Kawai, H, Watanabe, Y, Tamura, Y. | Deposit date: | 2021-03-12 | Release date: | 2022-01-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of Tam41 cytidine diphosphate diacylglycerol synthase from a Firmicutes bacterium. J.Biochem., 171, 2022
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6JMW
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![BU of 6jmw by Molmil](/molmil-images/mine/6jmw) | Structure of the Chromium Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, Chromium Protoporphyrin IX, ... | Authors: | Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | Deposit date: | 2019-03-13 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
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6JLV
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![BU of 6jlv by Molmil](/molmil-images/mine/6jlv) | Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | Authors: | Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | Deposit date: | 2019-03-07 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
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6JMH
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![BU of 6jmh by Molmil](/molmil-images/mine/6jmh) | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | Authors: | Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | Deposit date: | 2019-03-10 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
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