3VWN
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![BU of 3vwn by Molmil](/molmil-images/mine/3vwn) | Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187G/H266N/D370Y mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ... | Authors: | Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y. | Deposit date: | 2012-08-30 | Release date: | 2013-10-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction To be Published
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5AVF
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![BU of 5avf by Molmil](/molmil-images/mine/5avf) | The ligand binding domain of Mlp37 with taurine | Descriptor: | 2-AMINOETHANESULFONIC ACID, Methyl-accepting chemotaxis (MCP) signaling domain protein | Authors: | Takahashi, Y, Sumita, K, Uchida, Y, Nishiyama, S, Kawagishi, I, Imada, K. | Deposit date: | 2015-06-15 | Release date: | 2016-06-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Identification of a Vibrio cholerae chemoreceptor that senses taurine and amino acids as attractants Sci Rep, 6, 2016
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6R9W
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![BU of 6r9w by Molmil](/molmil-images/mine/6r9w) | Crystal structure of InhA in complex with AP-124 inhibitor | Descriptor: | (2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Takebayashi, Y, Hinchliffe, P, Spencer, J. | Deposit date: | 2019-04-04 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography. J.Chem.Inf.Model., 60, 2020
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6RUJ
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8K71
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![BU of 8k71 by Molmil](/molmil-images/mine/8k71) | Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((2-((naphthalen-2-ylmethyl)sulfonyl)acetyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid | Descriptor: | 2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | Authors: | Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J. | Deposit date: | 2023-07-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha. Chem Sci, 14, 2023
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8K72
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![BU of 8k72 by Molmil](/molmil-images/mine/8k72) | Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((3-(phenylsulfonamido)propanoyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid | Descriptor: | 2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | Authors: | Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J. | Deposit date: | 2023-07-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha. Chem Sci, 14, 2023
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8K73
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![BU of 8k73 by Molmil](/molmil-images/mine/8k73) | Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((1-(phenylsulfonyl)pyrrolidine-3-carbonyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid | Descriptor: | 2-[(2~{Z})-3-oxidanyl-2-[(3~{R})-1-(phenylsulfonyl)pyrrolidin-3-yl]carbonylimino-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | Authors: | Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J. | Deposit date: | 2023-07-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha. Chem Sci, 14, 2023
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7Y3V
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![BU of 7y3v by Molmil](/molmil-images/mine/7y3v) | Crystal structure of CdpNPT in complex with harmane | Descriptor: | 1-methyl-9H-pyrido[3,4-b]indole, Cyclic dipeptide N-prenyltransferase, PHOSPHATE ION | Authors: | Nakashima, Y, Morita, H. | Deposit date: | 2022-06-13 | Release date: | 2023-04-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Catalytic potential of a fungal indole prenyltransferase toward beta-carbolines, harmine and harman, and their prenylation effects on antibacterial activity. J.Biosci.Bioeng., 134, 2022
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7XVJ
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![BU of 7xvj by Molmil](/molmil-images/mine/7xvj) | Crystal structure of CdpNPT in complex with harmol | Descriptor: | 1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol, Cyclic dipeptide N-prenyltransferase, PHOSPHATE ION | Authors: | Nakashima, Y, Morita, H. | Deposit date: | 2022-05-24 | Release date: | 2023-04-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Enzymatic formation of a prenyl beta-carboline by a fungal indole prenyltransferase. J Nat Med, 76, 2022
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3D79
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![BU of 3d79 by Molmil](/molmil-images/mine/3d79) | Crystal structure of hypothetical protein PH0734.1 from hyperthermophilic archaea Pyrococcus horikoshii OT3 | Descriptor: | Putative uncharacterized protein PH0734 | Authors: | Nishimura, Y, Miyazono, K, Sawano, Y, Makino, T, Nagata, K, Tanokura, M. | Deposit date: | 2008-05-20 | Release date: | 2008-12-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of hypothetical protein PH0734.1 from hyperthermophilic archaea Pyrococcus horikoshii OT3. Proteins, 73, 2008
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6WOX
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6WOY
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5B3D
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![BU of 5b3d by Molmil](/molmil-images/mine/5b3d) | Structure of a flagellar type III secretion chaperone, FlgN | Descriptor: | Flagella synthesis protein FlgN | Authors: | Nakanishi, Y, Kinoshita, M, Namba, K, Minamino, T, Imada, K. | Deposit date: | 2016-02-15 | Release date: | 2016-06-01 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rearrangements of alpha-helical structures of FlgN chaperone control the binding affinity for its cognate substrates during flagellar type III export Mol.Microbiol., 101, 2016
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1QPK
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![BU of 1qpk by Molmil](/molmil-images/mine/1qpk) | MUTANT (D193G) MALTOTETRAOSE-FORMING EXO-AMYLASE IN COMPLEX WITH MALTOTETRAOSE | Descriptor: | CALCIUM ION, PROTEIN (MALTOTETRAOSE-FORMING AMYLASE), alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Yoshioka, Y, Hasegawa, K, Matsuura, Y, Katsube, Y, Kubota, M. | Deposit date: | 1999-05-26 | Release date: | 1999-11-17 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Roles of catalytic residues in alpha-amylases as evidenced by the structures of the product-complexed mutants of a maltotetraose-forming amylase. Protein Eng., 12, 1999
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5KC2
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![BU of 5kc2 by Molmil](/molmil-images/mine/5kc2) | Negative stain structure of Vps15/Vps34 complex | Descriptor: | Phosphatidylinositol 3-kinase VPS34, Serine/threonine-protein kinase VPS15 | Authors: | Kirsten, M.L, Zhang, L, Ohashi, Y, Perisic, O, Williams, R.L, Sachse, C. | Deposit date: | 2016-06-04 | Release date: | 2016-10-05 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (28 Å) | Cite: | Characterization of Atg38 and NRBF2, a fifth subunit of the autophagic Vps34/PIK3C3 complex. Autophagy, 12, 2016
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5C5O
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![BU of 5c5o by Molmil](/molmil-images/mine/5c5o) | Structure of SARS-3CL protease complex with a phenyl-beta-alanyl (S,R)-N-decalin type inhibitor | Descriptor: | (2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal, 3C-like proteinase | Authors: | Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A. | Deposit date: | 2015-06-21 | Release date: | 2016-06-22 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Fused-ring structure of N-decalin as a novel scaffold for SARS 3CL protease inhibitors to be published
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5C5N
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![BU of 5c5n by Molmil](/molmil-images/mine/5c5n) | Structure of SARS-3CL protease complex with a phenyl-beta-alanyl (R,S)-N-decalin type inhibitor | Descriptor: | (2S)-3-(1H-imidazol-5-yl)-2-({[(3R,4aS,8aR)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal, 3C-like proteinase | Authors: | Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A. | Deposit date: | 2015-06-21 | Release date: | 2016-06-22 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Fused-ring structure of N-decalin as a novel scaffold for SARS 3CL protease inhibitors to be published
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7R8J
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7R8F
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7R8K
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7R8G
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7R8H
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7SZK
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![BU of 7szk by Molmil](/molmil-images/mine/7szk) | Cryo-EM structure of 27a bound to E. coli RNAP and rrnBP1 promoter complex | Descriptor: | (2S,7R,7aR,13aP,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,21,23-trihydroxy-27-methoxy-2,4,16,20,22,24,26-heptamethyl-10-[4-(2-methylpropyl)piperazin-1-yl]-12-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1,6,15-trioxo-1,2,7,7a-tetrahydro-6H-2,7-(epoxypentadeca[1,11,13]trienoimino)[1]benzofuro[4,5-a]phenoxazin-25-yl acetate, DNA (5'-D(P*CP*TP*CP*GP*TP*AP*GP*AP*GP*TP*CP*CP*GP*TP*GP*TP*CP*A)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Shin, Y, Murakami, K.S. | Deposit date: | 2021-11-28 | Release date: | 2022-07-13 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | Optimization of Benzoxazinorifamycins to Improve Mycobacterium tuberculosis RNA Polymerase Inhibition and Treatment of Tuberculosis. Acs Infect Dis., 8, 2022
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7SZJ
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4NB9
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![BU of 4nb9 by Molmil](/molmil-images/mine/4nb9) | Oxygenase with Ile262 replaced by Val and ferredoxin complex of carbazole 1,9a-dioxygenase | Descriptor: | FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin CarAc, ... | Authors: | Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H. | Deposit date: | 2013-10-23 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase. Appl.Environ.Microbiol., 80, 2014
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