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PDB: 541 件
3M1N
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Crystal structure of Human Sonic Hedgehog N-terminal domain
分子名称: SULFATE ION, Sonic hedgehog protein, ZINC ION
著者Boriack-Sjodin, P.A, Pepinsky, R.B, Garber, E.A, Silvian, L.F.
登録日2010-03-05
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mapping sonic hedgehog-receptor interactions by steric interference.
J.Biol.Chem., 275, 2000
3MCB
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BU of 3mcb by Molmil
Crystal structure of NAC domains of human nascent polypeptide-associated complex (NAC)
分子名称: IODIDE ION, Nascent polypeptide-associated complex subunit alpha, Transcription factor BTF3
著者Wang, L.F, Zhang, W.C, Wang, L, Zhang, X.J.C, Li, X.M, Rao, Z.
登録日2010-03-29
公開日2010-07-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of NAC domains of human nascent polypeptide-associated complex (NAC) and its alphaNAC subunit
Protein Cell, 1, 2010
3O7P
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Crystal structure of the E.coli Fucose:proton symporter, FucP (N162A)
分子名称: L-fucose-proton symporter, nonyl beta-D-glucopyranoside
著者Dang, S.Y, Sun, L.F, Wang, J, Yan, N.
登録日2010-07-30
公開日2010-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.196 Å)
主引用文献Structure of a fucose transporter in an outward-open conformation
Nature, 467, 2010
7VIV
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BU of 7viv by Molmil
Crystal structure of the I73R from African Swine Fever Virus
分子名称: I73R
著者Sun, L.F, Wu, Y.K.
登録日2021-09-28
公開日2022-09-07
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insight into African Swine Fever Virus I73R protein reveals it is a Z-DNA binding protein
To be published
6I4O
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BU of 6i4o by Molmil
Dodecamer DNA containing the synthetic base pair P-Z
分子名称: (DCZ)(DG)(DA)(DT)(DP)(DT)(DA)(DZ)(DA)(DT)(DC)(DG3)
著者Padroni, G, Reichenbach, L.F, Parkinson, J.A, Burley, G.A.
登録日2018-11-10
公開日2019-06-12
最終更新日2024-07-03
実験手法SOLUTION NMR
主引用文献Sequence-Selective Minor Groove Recognition of a DNA Duplex Containing Synthetic Genetic Components.
J.Am.Chem.Soc., 141, 2019
6F6R
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BU of 6f6r by Molmil
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
分子名称: (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
著者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.
登録日2017-12-06
公開日2018-05-02
最終更新日2018-05-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne.
J. Med. Chem., 61, 2018
1IA3
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BU of 1ia3 by Molmil
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)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[4-TERT-BUTYLPHENYLSULFANYL]-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ...
著者Whitlow, M, Howard, A.J, Kuyper, L.F.
登録日2001-03-22
公開日2001-04-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献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
7VJT
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Crystal Structure of Mtb Pks13-TE in complex with inhibitor coumestan derivative 8
分子名称: 3,8-bis(oxidanyl)-7-(piperidin-1-ylmethyl)-[1]benzofuro[3,2-c]chromen-6-one, Polyketide synthase Pks13 (Termination polyketide synthase)
著者Zhang, W, Wang, S.S, Yu, L.F.
登録日2021-09-28
公開日2022-09-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献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
6J4R
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BU of 6j4r by Molmil
Structural basis for the target DNA recognition and binding by the MYB domain of phosphate starvation response regulator 1
分子名称: 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'), ...
著者Jiang, M.Q, Sun, L.F, Isupov, M.N.
登録日2019-01-10
公開日2019-04-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for the Target DNA recognition and binding by the MYB domain of phosphate starvation response 1.
Febs J., 286, 2019
1IA1
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BU of 1ia1 by Molmil
Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-(PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE (GW997)
分子名称: 5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Whitlow, M, Howard, A.J, Kuyper, L.F.
登録日2001-03-22
公開日2001-04-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
1IA2
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BU of 1ia2 by Molmil
Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW578)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ...
著者Whitlow, M, Howard, A.J, Kuyper, L.F.
登録日2001-03-22
公開日2001-04-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献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
6J4K
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BU of 6j4k by Molmil
Structural basis for the target DNA recognition and binding by the MYB domain of phosphate starvation response 1
分子名称: GLYCEROL, MALONIC ACID, Protein PHOSPHATE STARVATION RESPONSE 1
著者Jiang, M.Q, Sun, L.F.
登録日2019-01-09
公開日2019-04-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural basis for the Target DNA recognition and binding by the MYB domain of phosphate starvation response 1.
Febs J., 286, 2019
6J5B
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BU of 6j5b by Molmil
Structural basis for the target DNA recognition and binding by the MYB domain of phosphate starvation response regulator 1
分子名称: 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
著者Jiang, M.Q, Sun, L.F, Isupov, M.N, Wu, Y.K.
登録日2019-01-10
公開日2019-04-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for the Target DNA recognition and binding by the MYB domain of phosphate starvation response 1.
Febs J., 286, 2019
6FAM
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BU of 6fam by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-2-aminodeoxymannojirimycin
分子名称: ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose, ...
著者Fernandes, P.Z, Petricevic, M, Sobala, L.F, Davies, G.J, Williams, S.J.
登録日2017-12-15
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Exploration of Strategies for Mechanism-Based Inhibitor Design for Family GH99 endo-alpha-1,2-Mannanases.
Chemistry, 24, 2018
6JBH
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Cryo-EM structure and transport mechanism of a wall teichoic acid ABC transporter
分子名称: TarG, TarH
著者Chen, L, Hou, W.T, Fan, T, Li, Y.H, Liu, B.H, Jiang, Y.L, Sun, L.F, Chen, Y, Zhou, C.Z.
登録日2019-01-25
公開日2020-03-04
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.94 Å)
主引用文献Cryo-electron Microscopy Structure and Transport Mechanism of a Wall Teichoic Acid ABC Transporter.
Mbio, 11, 2020
6JBJ
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BU of 6jbj by Molmil
Cryo-EM structure of human lysosomal cobalamin exporter ABCD4
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family D member 4
著者Xu, D, Feng, Z, Hou, W.T, Jiang, Y.L, Wang, L, Sun, L.F, Zhou, C.Z, Chen, Y.
登録日2019-01-25
公開日2019-09-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structure of human lysosomal cobalamin exporter ABCD4.
Cell Res., 29, 2019
6F3K
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Combined solid-state NMR, solution-state NMR and EM data for structure determination of the tetrahedral aminopeptidase TET2 from P. horikoshii
分子名称: Tetrahedral aminopeptidase, ZINC ION
著者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.
登録日2017-11-28
公開日2018-03-14
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (4.1 Å), SOLID-STATE NMR, SOLUTION NMR
主引用文献Integrated NMR and cryo-EM atomic-resolution structure determination of a half-megadalton enzyme complex.
Nat Commun, 10, 2019
6FAR
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BU of 6far by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-mannoimidazole
分子名称: (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
著者Fernandes, P.Z, Petricevic, M, Sobala, L.F, Davies, G.J, Williams, S.J.
登録日2017-12-16
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Exploration of Strategies for Mechanism-Based Inhibitor Design for Family GH99 endo-alpha-1,2-Mannanases.
Chemistry, 24, 2018
7X81
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The crystal structure of PloI4-C16M/D46A/I137V in complex with exo-2+2 adduct
分子名称: (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
著者Li, M, Pan, L.F.
登録日2022-03-10
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献A cyclase that catalyses competing 2 + 2 and 4 + 2 cycloadditions.
Nat.Chem., 15, 2023
7X80
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The crystal structure of PloI4-C16M/D46A/I137V
分子名称: GLYCEROL, PloI4
著者Li, M, Pan, L.F.
登録日2022-03-10
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A cyclase that catalyses competing 2 + 2 and 4 + 2 cycloadditions.
Nat.Chem., 15, 2023
7X86
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The crystal structure of PloI4-F124L in complex with endo-4+2 adduct
分子名称: (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
著者Li, M, Pan, L.F.
登録日2022-03-11
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献A cyclase that catalyses competing 2 + 2 and 4 + 2 cycloadditions.
Nat.Chem., 15, 2023
7X7Z
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The crystal structure of 2+2/4+2 cyclase PloI4
分子名称: PloI4
著者Li, M, Pan, L.F.
登録日2022-03-10
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.903 Å)
主引用文献A cyclase that catalyses competing 2 + 2 and 4 + 2 cycloadditions.
Nat.Chem., 15, 2023
6FWJ
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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
分子名称: (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, ...
著者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.
登録日2018-03-06
公開日2019-09-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
7XFR
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Crystal structure of WIPI2b in complex with the second site of ATG16L1
分子名称: Autophagy-related protein 16-1, Isoform 2 of WD repeat domain phosphoinositide-interacting protein 2
著者Gong, X.Y, Pan, L.F.
登録日2022-04-02
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献ATG16L1 adopts a dual-binding site mode to interact with WIPI2b in autophagy.
Sci Adv, 9, 2023
1J3H
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Crystal structure of apoenzyme cAMP-dependent protein kinase catalytic subunit
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase, alpha-catalytic subunit
著者Akamine, P, Madhusudan, Wu, J, Xuong, N.H, Ten Eyck, L.F, Taylor, S.S.
登録日2003-01-31
公開日2003-03-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Dynamic Features of cAMP-dependent Protein Kinase Revealed by Apoenzyme Crystal Structure
J.Mol.Biol., 327, 2003

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