3M1N
 
 | | Crystal structure of Human Sonic Hedgehog N-terminal domain | | Descriptor: | SULFATE ION, Sonic hedgehog protein, ZINC ION | | Authors: | Boriack-Sjodin, P.A, Pepinsky, R.B, Garber, E.A, Silvian, L.F. | | Deposit date: | 2010-03-05 | | Release date: | 2010-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mapping sonic hedgehog-receptor interactions by steric interference.
J.Biol.Chem., 275, 2000
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3MCB
 | | Crystal structure of NAC domains of human nascent polypeptide-associated complex (NAC) | | Descriptor: | IODIDE ION, Nascent polypeptide-associated complex subunit alpha, Transcription factor BTF3 | | Authors: | Wang, L.F, Zhang, W.C, Wang, L, Zhang, X.J.C, Li, X.M, Rao, Z. | | Deposit date: | 2010-03-29 | | Release date: | 2010-07-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of NAC domains of human nascent polypeptide-associated complex (NAC) and its alphaNAC subunit
Protein Cell, 1, 2010
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3O7P
 | | Crystal structure of the E.coli Fucose:proton symporter, FucP (N162A) | | Descriptor: | L-fucose-proton symporter, nonyl beta-D-glucopyranoside | | Authors: | Dang, S.Y, Sun, L.F, Wang, J, Yan, N. | | Deposit date: | 2010-07-30 | | Release date: | 2010-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.196 Å) | | Cite: | Structure of a fucose transporter in an outward-open conformation
Nature, 467, 2010
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7VIV
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6I4O
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6F6R
 | | Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide | | Descriptor: | (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION | | Authors: | Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F. | | Deposit date: | 2017-12-06 | | Release date: | 2018-05-02 | | Last modified: | 2018-05-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne.
J. Med. Chem., 61, 2018
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1IA3
 | | Candida albicans dihydrofolate reductase complex in which the dihydronicotinamide moiety of dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) is displaced by 5-[(4-TERT-BUTYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW995) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[4-TERT-BUTYLPHENYLSULFANYL]-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ... | | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | | Deposit date: | 2001-03-22 | | Release date: | 2001-04-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
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7VJT
 | | Crystal Structure of Mtb Pks13-TE in complex with inhibitor coumestan derivative 8 | | Descriptor: | 3,8-bis(oxidanyl)-7-(piperidin-1-ylmethyl)-[1]benzofuro[3,2-c]chromen-6-one, Polyketide synthase Pks13 (Termination polyketide synthase) | | Authors: | Zhang, W, Wang, S.S, Yu, L.F. | | Deposit date: | 2021-09-28 | | Release date: | 2022-09-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structure-Based Optimization of Coumestan Derivatives as Polyketide Synthase 13-Thioesterase(Pks13-TE) Inhibitors with Improved hERG Profiles for Mycobacterium tuberculosis Treatment.
J.Med.Chem., 65, 2022
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6J4R
 | | Structural basis for the target DNA recognition and binding by the MYB domain of phosphate starvation response regulator 1 | | Descriptor: | DNA (5'-D(*CP*AP*GP*TP*AP*TP*AP*TP*AP*CP*C)-3'), DNA (5'-D(*CP*CP*AP*TP*AP*TP*AP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*TP*AP*TP*AP*CP*TP*G)-3'), ... | | Authors: | Jiang, M.Q, Sun, L.F, Isupov, M.N. | | Deposit date: | 2019-01-10 | | Release date: | 2019-04-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for the Target DNA recognition and binding by the MYB domain of phosphate starvation response 1.
Febs J., 286, 2019
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1IA1
 | | Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-(PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE (GW997) | | Descriptor: | 5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | | Deposit date: | 2001-03-22 | | Release date: | 2001-04-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
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1IA2
 | | Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW578) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ... | | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | | Deposit date: | 2001-03-22 | | Release date: | 2001-04-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
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6J4K
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6J5B
 | | Structural basis for the target DNA recognition and binding by the MYB domain of phosphate starvation response regulator 1 | | Descriptor: | DNA (5'-D(*GP*GP*TP*AP*CP*AP*GP*TP*AP*TP*AP*TP*AP*CP*CP*AP*TP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*TP*GP*GP*TP*AP*TP*AP*TP*AP*CP*TP*GP*TP*AP*CP*C)-3'), Protein PHOSPHATE STARVATION RESPONSE 1 | | Authors: | Jiang, M.Q, Sun, L.F, Isupov, M.N, Wu, Y.K. | | Deposit date: | 2019-01-10 | | Release date: | 2019-04-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for the Target DNA recognition and binding by the MYB domain of phosphate starvation response 1.
Febs J., 286, 2019
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6FAM
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-2-aminodeoxymannojirimycin | | Descriptor: | ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose, ... | | Authors: | Fernandes, P.Z, Petricevic, M, Sobala, L.F, Davies, G.J, Williams, S.J. | | Deposit date: | 2017-12-15 | | Release date: | 2018-03-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Exploration of Strategies for Mechanism-Based Inhibitor Design for Family GH99 endo-alpha-1,2-Mannanases.
Chemistry, 24, 2018
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6JBH
 | | Cryo-EM structure and transport mechanism of a wall teichoic acid ABC transporter | | Descriptor: | TarG, TarH | | Authors: | Chen, L, Hou, W.T, Fan, T, Li, Y.H, Liu, B.H, Jiang, Y.L, Sun, L.F, Chen, Y, Zhou, C.Z. | | Deposit date: | 2019-01-25 | | Release date: | 2020-03-04 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.94 Å) | | Cite: | Cryo-electron Microscopy Structure and Transport Mechanism of a Wall Teichoic Acid ABC Transporter.
Mbio, 11, 2020
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6JBJ
 | | Cryo-EM structure of human lysosomal cobalamin exporter ABCD4 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family D member 4 | | Authors: | Xu, D, Feng, Z, Hou, W.T, Jiang, Y.L, Wang, L, Sun, L.F, Zhou, C.Z, Chen, Y. | | Deposit date: | 2019-01-25 | | Release date: | 2019-09-11 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structure of human lysosomal cobalamin exporter ABCD4.
Cell Res., 29, 2019
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6F3K
 | | Combined solid-state NMR, solution-state NMR and EM data for structure determination of the tetrahedral aminopeptidase TET2 from P. horikoshii | | Descriptor: | Tetrahedral aminopeptidase, ZINC ION | | Authors: | Gauto, D.F, Estrozi, L.F, Schwieters, C.D, Effantin, G, Macek, P, Sounier, R, Kerfah, R, Sivertsen, A.C, Colletier, J.P, Boisbouvier, J, Schoehn, G, Favier, A, Schanda, P. | | Deposit date: | 2017-11-28 | | Release date: | 2018-03-14 | | Last modified: | 2023-09-13 | | Method: | ELECTRON MICROSCOPY (4.1 Å), SOLID-STATE NMR, SOLUTION NMR | | Cite: | Integrated NMR and cryo-EM atomic-resolution structure determination of a half-megadalton enzyme complex.
Nat Commun, 10, 2019
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6FAR
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-mannoimidazole | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, Glycosyl hydrolase family 71, alpha-D-mannopyranose | | Authors: | Fernandes, P.Z, Petricevic, M, Sobala, L.F, Davies, G.J, Williams, S.J. | | Deposit date: | 2017-12-16 | | Release date: | 2018-03-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Exploration of Strategies for Mechanism-Based Inhibitor Design for Family GH99 endo-alpha-1,2-Mannanases.
Chemistry, 24, 2018
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7X81
 | | The crystal structure of PloI4-C16M/D46A/I137V in complex with exo-2+2 adduct | | Descriptor: | (4S,4aS,6aR,8R,9R,11E,12aR,14aS,17E,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-11,12a,13,18a-tetramethyl-2,3,4,4a,6a,7,8,9,10,12a,13,14,18a,18b-tetradecahydro-14a,17-(metheno)cyclobuta[b]naphtho[2,1-j][1]azacyclotetradecine-16,18(1H,15H)-dione, PloI4 | | Authors: | Li, M, Pan, L.F. | | Deposit date: | 2022-03-10 | | Release date: | 2023-02-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.104 Å) | | Cite: | A cyclase that catalyses competing 2 + 2 and 4 + 2 cycloadditions.
Nat.Chem., 15, 2023
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7X80
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7X86
 | | The crystal structure of PloI4-F124L in complex with endo-4+2 adduct | | Descriptor: | (4S,4aS,6aR,8R,9R,10aS,13S,14aS,18aR,18bR,E)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,6a,7,8,9,10,10a,13,14,18a,18b-tetradecahydro-14a,17-(metheno)benzo[b]naphtho[2,1-h][1]azacyclododecine-16,18(1H,15H)-dione, PloI4 | | Authors: | Li, M, Pan, L.F. | | Deposit date: | 2022-03-11 | | Release date: | 2023-02-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | A cyclase that catalyses competing 2 + 2 and 4 + 2 cycloadditions.
Nat.Chem., 15, 2023
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7X7Z
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6FWJ
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-mannosamine) and alpha-1,2-mannobiose | | Descriptor: | (1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2018-03-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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7XFR
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1J3H
 | | Crystal structure of apoenzyme cAMP-dependent protein kinase catalytic subunit | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase, alpha-catalytic subunit | | Authors: | Akamine, P, Madhusudan, Wu, J, Xuong, N.H, Ten Eyck, L.F, Taylor, S.S. | | Deposit date: | 2003-01-31 | | Release date: | 2003-03-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Dynamic Features of cAMP-dependent Protein Kinase Revealed by Apoenzyme Crystal Structure
J.Mol.Biol., 327, 2003
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