8JI2
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![BU of 8ji2 by Molmil](/molmil-images/mine/8ji2) | Crystal structure of AetD in complex with 5,7-dibromo-L-tryptophan | Descriptor: | (2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AetD, ... | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-05-26 | Release date: | 2023-11-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The structural and functional investigation into an unusual nitrile synthase. Nat Commun, 14, 2023
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8IZY
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![BU of 8izy by Molmil](/molmil-images/mine/8izy) | Human KCNQ2-CaM in complex with HN37 | Descriptor: | Potassium voltage-gated channel subfamily KQT member 2, methyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate | Authors: | Ma, D, Li, X, Guo, J. | Deposit date: | 2023-04-09 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Ligand activation mechanisms of human KCNQ2 channel. Nat Commun, 14, 2023
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8J03
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![BU of 8j03 by Molmil](/molmil-images/mine/8j03) | |
8J05
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![BU of 8j05 by Molmil](/molmil-images/mine/8j05) | |
8J04
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![BU of 8j04 by Molmil](/molmil-images/mine/8j04) | Human KCNQ2-CaM-HN37 complex in the presence of PIP2 | Descriptor: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, methyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate | Authors: | Ma, D, Li, X, Guo, J. | Deposit date: | 2023-04-09 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Ligand activation mechanisms of human KCNQ2 channel. Nat Commun, 14, 2023
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8J01
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![BU of 8j01 by Molmil](/molmil-images/mine/8j01) | Human KCNQ2-CaM in complex with CBD and PIP2 | Descriptor: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ... | Authors: | Ma, D, Li, X, Guo, J. | Deposit date: | 2023-04-09 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Ligand activation mechanisms of human KCNQ2 channel. Nat Commun, 14, 2023
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8J02
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![BU of 8j02 by Molmil](/molmil-images/mine/8j02) | Human KCNQ2(F104A)-CaM-PIP2-CBD complex in state II | Descriptor: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ... | Authors: | Ma, D, Li, X, Guo, J. | Deposit date: | 2023-04-09 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Ligand activation mechanisms of human KCNQ2 channel. Nat Commun, 14, 2023
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2FR3
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![BU of 2fr3 by Molmil](/molmil-images/mine/2fr3) | |
2FS7
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![BU of 2fs7 by Molmil](/molmil-images/mine/2fs7) | |
1N5M
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![BU of 1n5m by Molmil](/molmil-images/mine/1n5m) | Crystal structure of the mouse acetylcholinesterase-gallamine complex | Descriptor: | 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM], 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | Authors: | Bourne, Y, Taylor, P, Radic, Z, Marchot, P. | Deposit date: | 2002-11-06 | Release date: | 2003-02-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site EMBO J., 22, 2003
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1N5R
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![BU of 1n5r by Molmil](/molmil-images/mine/1n5r) | Crystal structure of the mouse acetylcholinesterase-propidium complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM, ACETIC ACID, ... | Authors: | Bourne, Y, Taylor, P, Radic, Z, Marchot, P. | Deposit date: | 2002-11-07 | Release date: | 2003-02-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site EMBO J., 22, 2003
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2Z6N
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![BU of 2z6n by Molmil](/molmil-images/mine/2z6n) | Crystal Structure of Carbonmonoxy Hemoglobin D from the Aldabra Giant Tortoise, Geochelone gigantea | Descriptor: | CARBON MONOXIDE, Hemoglobin A/D subunit beta, Hemoglobin D subunit alpha, ... | Authors: | Kuwada, T, Hasegawa, T, Sato, I, Ishikawa, K, Shishikura, F. | Deposit date: | 2007-08-04 | Release date: | 2007-08-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal Structure of the Ligated Hemoglobin D from the Aldabra Giant Tortoise, Geochelone gigantea To be Published
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5BV5
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![BU of 5bv5 by Molmil](/molmil-images/mine/5bv5) | Structure of CYP119 with T213A and C317H mutations | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, Cytochrome P450 119, PHOSPHATE ION, ... | Authors: | Buller, A.R, Heel, T, McIntosh, J.A, Arnold, F.H. | Deposit date: | 2015-06-04 | Release date: | 2016-02-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Adaptability Facilitates Histidine Heme Ligation in a Cytochrome P450. J.Am.Chem.Soc., 137, 2015
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5EN3
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![BU of 5en3 by Molmil](/molmil-images/mine/5en3) | Crystal structure of human transthyretin in complex with luteolin-Cl at 1.25 A resolution | Descriptor: | 2-[3,4-bis(oxidanyl)phenyl]-7-chloranyl-5-oxidanyl-chromen-4-one, GLYCEROL, SODIUM ION, ... | Authors: | Begum, A, Nilsson, L, Olofsson, A, Sauer-Eriksson, A.E. | Deposit date: | 2015-11-09 | Release date: | 2016-04-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Modifications of the 7-Hydroxyl Group of the Transthyretin Ligand Luteolin Provide Mechanistic Insights into Its Binding Properties and High Plasma Specificity. Plos One, 11, 2016
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2QHU
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![BU of 2qhu by Molmil](/molmil-images/mine/2qhu) | Structural Basis of Octanoic Acid Recognition by Lipoate-Protein Ligase B | Descriptor: | Lipoyltransferase, OCTANAL | Authors: | Kim, D.J, Lee, S.J, Kim, H.S, Kim, K.H, Lee, H.H, Yoon, H.J, Suh, S.W. | Deposit date: | 2007-07-02 | Release date: | 2008-02-26 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of octanoic acid recognition by lipoate-protein ligase B Proteins, 70, 2008
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3F46
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![BU of 3f46 by Molmil](/molmil-images/mine/3f46) | The Crystal Structure of C176A Mutated [Fe]-Hydrogenase (Hmd) Holoenzyme from Methanocaldococcus jannaschii | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 5'-O-[(S)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, ... | Authors: | Hiromoto, T, Vogt, S, Warkentin, E, Thauer, R.K, Shima, S, Ermler, U. | Deposit date: | 2008-10-31 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The crystal structure of C176A mutated [Fe]-hydrogenase suggests an acyl-iron ligation in the active site iron complex. Febs Lett., 583, 2009
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4RKI
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5SYI
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![BU of 5syi by Molmil](/molmil-images/mine/5syi) | Structure of D141A variant of B. pseudomallei KatG complexed with INH | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ... | Authors: | Loewen, P.C. | Deposit date: | 2016-08-11 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Binding of the antitubercular pro-drug isoniazid in the heme access channel of catalase-peroxidase (KatG). A combined structural and metadynamics investigation. J Phys Chem B, 118, 2014
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3F47
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![BU of 3f47 by Molmil](/molmil-images/mine/3f47) | The Crystal Structure of [Fe]-Hydrogenase (Hmd) Holoenzyme from Methanocaldococcus jannaschii | Descriptor: | 5'-O-[(S)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, CARBON MONOXIDE, ... | Authors: | Hiromoto, T, Pilak, O, Warkentin, E, Thauer, R.K, Shima, S, Ermler, U. | Deposit date: | 2008-10-31 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The crystal structure of C176A mutated [Fe]-hydrogenase suggests an acyl-iron ligation in the active site iron complex. Febs Lett., 583, 2009
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2OB4
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![BU of 2ob4 by Molmil](/molmil-images/mine/2ob4) | Human Ubiquitin-Conjugating Enzyme CDC34 | Descriptor: | Ubiquitin-conjugating enzyme E2-32 kDa complementing | Authors: | Neculai, D, Avvakumov, G.V, Xue, S, Walker, J.R, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Sicheri, F, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2006-12-18 | Release date: | 2006-12-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
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2F4W
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![BU of 2f4w by Molmil](/molmil-images/mine/2f4w) | Human ubiquitin-conjugating enzyme E2 J2 | Descriptor: | ubiquitin-conjugating enzyme E2, J2 | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Finerty Jr, P.J, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2005-11-24 | Release date: | 2005-12-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
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3A11
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![BU of 3a11 by Molmil](/molmil-images/mine/3a11) | Crystal structure of ribose-1,5-bisphosphate isomerase from Thermococcus kodakaraensis KOD1 | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Translation initiation factor eIF-2B, ... | Authors: | Nakamura, A, Fujihashi, M, Nishiba, Y, Yoshida, S, Yano, A, Atomi, H, Imanaka, T, Miki, K. | Deposit date: | 2009-03-25 | Release date: | 2010-03-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Dynamic, ligand-dependent conformational change triggers reaction of ribose-1,5-bisphosphate isomerase from Thermococcus kodakarensis KOD1 J.Biol.Chem., 287, 2012
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1J07
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![BU of 1j07 by Molmil](/molmil-images/mine/1j07) | Crystal structure of the mouse acetylcholinesterase-decidium complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-5,10'-(TRIMETHYLAMMONIUM)DECYL-6-PHENYL PHENANTHRIDINIUM, CARBONATE ION, ... | Authors: | Bourne, Y, Taylor, P, Radic, Z, Marchot, P. | Deposit date: | 2002-11-07 | Release date: | 2003-02-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site EMBO J., 22, 2003
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3ERN
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![BU of 3ern by Molmil](/molmil-images/mine/3ern) | Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with AraCMP | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTOSINE ARABINOSE-5'-PHOSPHATE, GERANYL DIPHOSPHATE, ... | Authors: | Hunter, W.N, Ramsden, N.L, Kemp, L.A. | Deposit date: | 2008-10-02 | Release date: | 2009-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
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2KRE
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![BU of 2kre by Molmil](/molmil-images/mine/2kre) | |