3A6K
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![BU of 3a6k by Molmil](/molmil-images/mine/3a6k) | The E122Q mutant creatininase, Mn-Zn type | Descriptor: | CHLORIDE ION, Creatinine amidohydrolase, MANGANESE (II) ION, ... | Authors: | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | Deposit date: | 2009-09-02 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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2ROG
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![BU of 2rog by Molmil](/molmil-images/mine/2rog) | Solution structure of Thermus thermophilus HB8 TTHA1718 protein in living E. coli cells | Descriptor: | Heavy metal binding protein | Authors: | Sakakibara, D, Sasaki, A, Ikeya, T, Hamatsu, J, Koyama, H, Mishima, M, Mikawa, T, Waelchli, M, Smith, B.O, Shirakawa, M, Guentert, P, Ito, Y. | Deposit date: | 2008-03-21 | Release date: | 2009-03-03 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Protein structure determination in living cells by in-cell NMR spectroscopy Nature, 458, 2009
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2ROE
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![BU of 2roe by Molmil](/molmil-images/mine/2roe) | Solution structure of thermus thermophilus HB8 TTHA1718 protein in vitro | Descriptor: | Heavy metal binding protein | Authors: | Sakakibara, D, Sasaki, A, Ikeya, T, Hamatsu, J, Koyama, H, Mishima, M, Mikawa, T, Waelchli, M, Smith, B.O, Shirakawa, M, Guentert, P, Ito, Y. | Deposit date: | 2008-03-20 | Release date: | 2009-03-03 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Protein structure determination in living cells by in-cell NMR spectroscopy Nature, 458, 2009
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3VHD
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![BU of 3vhd by Molmil](/molmil-images/mine/3vhd) | Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor, CH5164840 | Descriptor: | 4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione, Heat shock protein HSP 90-alpha | Authors: | Fukami, T.A, Ono, N. | Deposit date: | 2011-08-24 | Release date: | 2012-07-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3VHA
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![BU of 3vha by Molmil](/molmil-images/mine/3vha) | Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine, Heat shock protein HSP 90-alpha | Authors: | Fukami, T.A, Ono, N. | Deposit date: | 2011-08-24 | Release date: | 2012-07-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3VHC
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![BU of 3vhc by Molmil](/molmil-images/mine/3vhc) | Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor | Descriptor: | 4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Fukami, T.A, Ono, N. | Deposit date: | 2011-08-24 | Release date: | 2012-07-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3AI3
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![BU of 3ai3 by Molmil](/molmil-images/mine/3ai3) | The crystal structure of L-Sorbose reductase from Gluconobacter frateurii complexed with NADPH and L-sorbose | Descriptor: | L-sorbose, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-sorbose reductase, ... | Authors: | Kubota, K, Nagata, K, Okai, M, Miyazono, K, Tanokura, M. | Deposit date: | 2010-05-07 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Crystal Structure of l-Sorbose Reductase from Gluconobacter frateurii Complexed with NADPH and l-Sorbose J.Mol.Biol., 407, 2011
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3AI1
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![BU of 3ai1 by Molmil](/molmil-images/mine/3ai1) | The crystal structure of L-sorbose reductase from Gluconobacter frateurii complexed with NADPH and L-sorbose reveals the structure bases of its catalytic mechanism and high substrate selectivity | Descriptor: | NADPH-sorbose reductase | Authors: | Kubota, K, Nagata, K, Okai, M, Miyazono, K, Tanokura, M. | Deposit date: | 2010-05-06 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | The Crystal Structure of l-Sorbose Reductase from Gluconobacter frateurii Complexed with NADPH and l-Sorbose J.Mol.Biol., 407, 2011
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3AI2
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![BU of 3ai2 by Molmil](/molmil-images/mine/3ai2) | The crystal structure of L-sorbose reductase from Gluconobacter frateurii complexed with NADPH | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-sorbose reductase | Authors: | Kubota, K, Nagata, K, Okai, M, Miyazono, K, Tanokura, M. | Deposit date: | 2010-05-07 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Crystal Structure of l-Sorbose Reductase from Gluconobacter frateurii Complexed with NADPH and l-Sorbose J.Mol.Biol., 407, 2011
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2Y69
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![BU of 2y69 by Molmil](/molmil-images/mine/2y69) | Bovine heart cytochrome c oxidase re-refined with molecular oxygen | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, CHOLIC ACID, ... | Authors: | Kaila, V.R.I, Oksanen, E, Goldman, A, Verkhovsky, M.I, Sundholm, D, Wikstrom, M. | Deposit date: | 2011-01-20 | Release date: | 2011-02-23 | Last modified: | 2019-11-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Combined Quantum Chemical and Crystallographic Study on the Oxidized Binuclear Center of Cytochrome C Oxidase. Biochim.Biophys.Acta, 1807, 2011
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