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PDB: 34840 件

7Q05
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BU of 7q05 by Molmil
Crystal structure of TPADO in complex with TPA
分子名称: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Lysozyme, ...
著者Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E.
登録日2021-10-14
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism.
Proc.Natl.Acad.Sci.USA, 119, 2022
5K2A
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BU of 5k2a by Molmil
2.5 angstrom A2a adenosine receptor structure with sulfur SAD phasing using XFEL data
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ...
著者Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
登録日2016-05-18
公開日2016-09-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
6P7Z
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BU of 6p7z by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: 5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
著者Elkins, P.A, Bonnette, W.G.
登録日2019-06-06
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
5JCK
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BU of 5jck by Molmil
Structure and catalytic mechanism of monodehydroascorbate reductase, MDHAR, from Oryza sativa L. japonica
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Os09g0567300 protein
著者Park, A.K, Kim, H.W.
登録日2016-04-15
公開日2016-10-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and catalytic mechanism of monodehydroascorbate reductase, MDHAR, from Oryza sativa L. japonica
Sci Rep, 6
5JCN
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Structure and catalytic mechanism of monodehydroascorbate reductase, MDHAR, from Oryza sativa L. japonica
分子名称: ASCORBIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Park, A.K, Kim, H.W.
登録日2016-04-15
公開日2016-10-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure and catalytic mechanism of monodehydroascorbate reductase, MDHAR, from Oryza sativa L. japonica
Sci Rep, 6, 2016
8BLP
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BU of 8blp by Molmil
Human Urea Transporter UT-B/UT1 in Complex with Inhibitor UTBinh-14
分子名称: 10-(4-ethylphenyl)sulfonyl-~{N}-(thiophen-2-ylmethyl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,7,9,11-pentaen-7-amine, CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, ...
著者Chi, G, Dietz, L, Pike, A.C.W, Maclean, E.M, Mukhopadhyay, S.M.M, Bohstedt, T, Wang, D, Scacioc, A, McKinley, G, Arrowsmith, C.H, Edwards, A, Bountra, C, Fernandez-Cid, A, Burgess-Brown, N.A, Duerr, K.L.
登録日2022-11-10
公開日2023-10-04
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural characterization of human urea transporters UT-A and UT-B and their inhibition.
Sci Adv, 9, 2023
4ZY6
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BU of 4zy6 by Molmil
Crystal structure of P21-activated kinase 1 in complex with an inhibitor compound 29
分子名称: N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PAK 1
著者Rouge, L, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
2PKC
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BU of 2pkc by Molmil
CRYSTAL STRUCTURE OF CALCIUM-FREE PROTEINASE K AT 1.5 ANGSTROMS RESOLUTION
分子名称: PROTEINASE K, SODIUM ION
著者Mueller, A, Hinrichs, W, Wolf, W.M, Saenger, W.
登録日1993-06-04
公開日1994-01-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of calcium-free proteinase K at 1.5-A resolution.
J.Biol.Chem., 269, 1994
2CA5
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BU of 2ca5 by Molmil
MxiH needle protein of Shigella Flexneri (monomeric form, residues 1- 78)
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, MXIH, ...
著者Deane, J.E, Roversi, P, Cordes, F.S, Johnson, S, Kenjale, R, Picking, W.L, Picking, W.D, Blocker, A.J, Lea, S.M.
登録日2005-12-16
公開日2006-08-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular Model of a Type III Secretion System Needle: Implications for Host-Cell Sensing
Proc.Natl.Acad.Sci.USA, 103, 2006
6PS1
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BU of 6ps1 by Molmil
XFEL beta2 AR structure by ligand exchange from Alprenolol to Timolol.
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, CHOLESTEROL, ...
著者Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C.
登録日2019-07-12
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
6VE9
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BU of 6ve9 by Molmil
Solution NMR structure of enterococcal cytolysin S (CylLS") produced by Enterococcus faecalis
分子名称: enterococcal cytolysin S
著者Bobeica, S.C, van der Donk, W.A, Zhu, L, Tang, W.
登録日2019-12-30
公開日2020-07-08
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural determinants of macrocyclization in substrate-controlled lanthipeptide biosynthetic pathways.
Chem Sci, 11, 2020
6PKS
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BU of 6pks by Molmil
MicroED structure of proteinase K from low-dose merged lamellae that were not pre-coated with platinum 2.16A resolution (LD)
分子名称: Proteinase K
著者Martynowycz, M.W, Zhao, W, Hattne, J, Jensen, G.J, Gonen, T.
登録日2019-06-29
公開日2019-09-04
最終更新日2024-10-09
実験手法ELECTRON CRYSTALLOGRAPHY (2.16 Å)
主引用文献Qualitative Analyses of Polishing and Precoating FIB Milled Crystals for MicroED.
Structure, 27, 2019
8G0Y
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BU of 8g0y by Molmil
Backbone modifications in the inter-helix loop of designed miniprotein oPPalpha: Iva10Asn11 turn
分子名称: Designed miniprotein oPPalpha: Iva10Asn11 turn
著者Harmon, T.W, Horne, W.S.
登録日2023-02-01
公開日2023-04-05
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Protein Backbone Alteration in Non-Hairpin beta-Turns: Impacts on Tertiary Folded Structure and Folded Stability.
Chembiochem, 24, 2023
8G0X
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BU of 8g0x by Molmil
Backbone modifications in the inter-helix loop of designed miniprotein oPPalpha: Pro10DPro11 turn
分子名称: Designed miniprotein oPPalpha: Pro10DPro11 turn
著者Harmon, T.W, Horne, W.S.
登録日2023-02-01
公開日2023-04-05
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献Protein Backbone Alteration in Non-Hairpin beta-Turns: Impacts on Tertiary Folded Structure and Folded Stability.
Chembiochem, 24, 2023
1W5M
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BU of 1w5m by Molmil
Stepwise introduction of zinc binding site into porphobilinogen synthase of Pseudomonas aeruginosa (mutations A129C and D139C)
分子名称: CHLORIDE ION, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, FORMIC ACID, ...
著者Frere, F, Reents, H, Schubert, W.-D, Heinz, D.W, Jahn, D.
登録日2004-08-09
公開日2005-01-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Tracking the Evolution of Porphobilinogen Synthase Metal Dependence in Vitro
J.Mol.Biol., 345, 2005
7QZ8
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BU of 7qz8 by Molmil
Transcriptional regulator LmrR with bound daunomycin and with Trp-67 and Trp-96 replaced by the unnatural amino acid 5,6-difluoroTrp
分子名称: DAUNOMYCIN, Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
7QZ7
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BU of 7qz7 by Molmil
Transcriptional regulator LmrR with bound daunomycin and with Trp-67 and Trp-96 replaced by 5,6,7-trifluoroTrp
分子名称: DAUNOMYCIN, Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
7QZ9
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BU of 7qz9 by Molmil
Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by the unnatural amino acid 5,6-difluoroTrp
分子名称: Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
7QZ6
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BU of 7qz6 by Molmil
Transcriptional regulator LmrR with bound daunomycin and with Trp-67 and Trp-96 replaced by 5-fluoroTrp
分子名称: DAUNOMYCIN, Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
6RCU
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BU of 6rcu by Molmil
PfRH5 bound to monoclonal antibodies R5.004 and R5.016
分子名称: R5.004 heavy chain, R5.004 light chain, R5.016 heavy chain, ...
著者Alanine, D.W.G, Draper, S.J, Higgins, M.K.
登録日2019-04-11
公開日2019-06-26
最終更新日2019-08-21
実験手法X-RAY DIFFRACTION (4.005 Å)
主引用文献Human Antibodies that Slow Erythrocyte Invasion Potentiate Malaria-Neutralizing Antibodies.
Cell, 178, 2019
7QZ5
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BU of 7qz5 by Molmil
Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by the unnatural amino acid 5-fluoroTrp
分子名称: Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
7TIN
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BU of 7tin by Molmil
The Structure of S. aureus MenD
分子名称: 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, CALCIUM ION, CHLORIDE ION, ...
著者Johnston, J.M, Stanborough, T, Ho, N.A.T, Akazong, E.W, Jiao, W.
登録日2022-01-14
公開日2022-09-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Allosteric inhibition of Staphylococcus aureus MenD by 1,4-dihydroxy naphthoic acid: a feedback inhibition mechanism of the menaquinone biosynthesis pathway.
Philos.Trans.R.Soc.Lond.B Biol.Sci., 378, 2023
1W5N
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BU of 1w5n by Molmil
Stepwise introduction of zinc binding site into porphobilinogen synthase of Pseudomonas aeruginosa (mutations D131C and D139C)
分子名称: CHLORIDE ION, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, FORMIC ACID, ...
著者Frere, F, Reents, H, Schubert, W.-D, Heinz, D.W, Jahn, D.
登録日2004-08-09
公開日2005-01-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Tracking the Evolution of Porphobilinogen Synthase Metal Dependence in Vitro
J.Mol.Biol., 345, 2005
8BNS
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BU of 8bns by Molmil
Crystal structure of Pif1 from Sulfurihydrogenibium sp in complex with ADP
分子名称: AAA ATPase, ADENOSINE-5'-DIPHOSPHATE
著者Rety, S, Chen, W.F, Xi, X.G.
登録日2022-11-14
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Structural Studies of Pif1 Helicases from Thermophilic Bacteria.
Microorganisms, 11, 2023
6OBR
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BU of 6obr by Molmil
PP1 Y134A in complex with Microcystin LR
分子名称: CHLORIDE ION, MANGANESE (II) ION, Microcystin LR, ...
著者Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R.
登録日2019-03-21
公開日2019-09-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019

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