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4XI9
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Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RBL2)
分子名称: (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, Retinoblastoma-like protein 2, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
著者Schimpl, M, van Aalten, D.M.F.
登録日2015-01-06
公開日2015-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
6M2E
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Sirohydrochlorin nickelochelatase CfbA in complex with sirohydrochlorin
分子名称: 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid, Sirohydrochlorin cobaltochelatase
著者Fujishiro, T.
登録日2020-02-27
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The nickel-sirohydrochlorin formation mechanism of the ancestral class II chelatase CfbA in coenzyme F430 biosynthesis.
Chem Sci, 12, 2021
7Q4G
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Structure of coproheme decarboxylase from Corynebacterium dipththeriae Y135A mutant in complex with coproheme
分子名称: 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Coproheme decarboxylase from Corynebacterium diphtheriae Y135A mutant in complex with coproheme, DI(HYDROXYETHYL)ETHER
著者Michlits, H, Valente, N, Mlynek, G, Hofbauer, S.
登録日2021-10-30
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Initial Steps to Engineer Coproheme Decarboxylase to Obtain Stereospecific Monovinyl, Monopropionyl Deuterohemes.
Front Bioeng Biotechnol, 9, 2021
7Q4F
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Structure of coproheme decarboxylase from Corynebacterium dipththeriae W183Y mutant in complex with coproheme
分子名称: 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Coproheme decarboxylase from Corynebacterium dipththeriae W183Y mutant in complex with coproheme, DI(HYDROXYETHYL)ETHER, ...
著者Michlits, H, Valente, N, Mlynek, G, Hofbauer, S.
登録日2021-10-30
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Initial Steps to Engineer Coproheme Decarboxylase to Obtain Stereospecific Monovinyl, Monopropionyl Deuterohemes.
Front Bioeng Biotechnol, 9, 2021
7PYR
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Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2115
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ...
著者Claff, T, Klapschinski, T.A, Tiruttani Subhramanyam, U.K, Vaassen, V.J, Schlegel, J.G, Vielmuth, C, Voss, J.H, Labahn, J, Muller, C.E.
登録日2021-10-11
公開日2022-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Single Stabilizing Point Mutation Enables High-Resolution Co-Crystal Structures of the Adenosine A 2A Receptor with Preladenant Conjugates.
Angew.Chem.Int.Ed.Engl., 61, 2022
7JL0
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Cryo-EM structure of MDA5-dsRNA in complex with TRIM65 PSpry domain (Monomer)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Interferon-induced helicase C domain-containing protein 1, MAGNESIUM ION, ...
著者Kato, K, Ahmad, S, Hur, S.
登録日2020-07-29
公開日2020-12-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural analysis of RIG-I-like receptors reveals ancient rules of engagement between diverse RNA helicases and TRIM ubiquitin ligases.
Mol.Cell, 81, 2021
7JL1
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Cryo-EM structure of RIG-I:dsRNA in complex with RIPLET PrySpry domain (monomer)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Antiviral innate immune response receptor RIG-I, E3 ubiquitin-protein ligase RNF135, ...
著者Kato, K, Ahmad, S, Hur, S.
登録日2020-07-29
公開日2020-12-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural analysis of RIG-I-like receptors reveals ancient rules of engagement between diverse RNA helicases and TRIM ubiquitin ligases.
Mol.Cell, 81, 2021
4XRN
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Pilz domain with c-di-gmp of a protein from Pseudomonas aeruginosa
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Alginate biosynthesis protein Alg44, ZINC ION
著者Chi, K.K, Yuan, Z.L.
登録日2015-01-21
公開日2016-02-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pilz domain with c-di-gmp of a protein from Pseudomonas aeruginosa
To Be Published
4XIF
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Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (keratin-7)
分子名称: (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, Keratin, type II cytoskeletal 7, ...
著者Schimpl, M, van Aalten, D.M.F.
登録日2015-01-06
公開日2015-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
8HUE
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BU of 8hue by Molmil
Crystal structure of FGF2-M2 mutant - D28E/C78I/C96I/S137P
分子名称: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Fibroblast growth factor 2
著者Jung, Y.E, Cha, S.S, An, Y.J.
登録日2022-12-23
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal structure of FGF2-M2 mutant - D28E/C78I/C96I/S137P
To Be Published
7PEM
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Cryo-EM structure of phophorylated Drs2p-Cdc50p in a PS and ATP-bound E2P state
分子名称: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Timcenko, M, Wang, Y, Lyons, J.A, Nissen, P, Lindorff-Larsen, K.
登録日2021-08-10
公開日2022-08-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Substrate Transport and Specificity in a Phospholipid Flippase
To Be Published
7PHF
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Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-hydroxylase RdmB and 10-decarboxylase TamK
分子名称: Carminomycin 4-O-methyltransferase DnrK,Methyltransferase domain-containing protein,Aclacinomycin 10-hydroxylase RdmB, S-ADENOSYL-L-HOMOCYSTEINE, methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
著者Dinis, P, MetsaKetela, M.
登録日2021-08-17
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Evolution-inspired engineering of anthracycline methyltransferases.
Pnas Nexus, 2, 2023
8BD3
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BU of 8bd3 by Molmil
Cryo-EM structure of the Photosystem II - LHCII supercomplex from Chlorella ohadi
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R)-beta,beta-caroten-3-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Fadeeva, M, Klaiman, D, Caspy, I, Nelson, N.
登録日2022-10-18
公開日2023-08-09
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Structure of Chlorella ohadii Photosystem II Reveals Protective Mechanisms against Environmental Stress.
Cells, 12, 2023
7PGA
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Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-hydroxylase RdmB and 10-decarboxylase TamK
分子名称: Carminomycin 4-O-methyltransferase DnrK,Methyltransferase domain-containing protein,Aclacinomycin 10-hydroxylase RdmB, S-ADENOSYL-L-HOMOCYSTEINE, methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
著者Dinis, P, MetsaKetela, M.
登録日2021-08-13
公開日2022-08-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Evolution-inspired engineering of anthracycline methyltransferases.
Pnas Nexus, 2, 2023
7PHE
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BU of 7phe by Molmil
Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-hydroxylase RdmB and 10-decarboxylase TamK
分子名称: Carminomycin 4-O-methyltransferase DnrK,Methyltransferase domain-containing protein,Aclacinomycin 10-hydroxylase RdmB, methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
著者Dinis, P, MetsaKetela, M.
登録日2021-08-17
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Evolution-inspired engineering of anthracycline methyltransferases.
Pnas Nexus, 2, 2023
4XJT
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Human CD38 complexed with inhibitor 2 [4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide]
分子名称: 4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
著者Shewchuk, L.M, Deaton, D.N, Stewart, E.
登録日2015-01-09
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of 4-Amino-8-quinoline Carboxamides as Novel, Submicromolar Inhibitors of NAD-Hydrolyzing Enzyme CD38.
J.Med.Chem., 58, 2015
8QJZ
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Crystal structure of E. coli LpxH in complex with lipid X
分子名称: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase
著者Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
登録日2023-09-14
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
4XTT
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Structural Studies of Potassium Transport Protein KtrA Regulator of Conductance of K+ (RCK) C domain in Complex with Cyclic Diadenosine Monophosphate (c-di-AMP)
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Putative potassium transport protein
著者Kim, H, Youn, S.J, Kim, S.O, Ko, J, Lee, J.O, Choi, B.S.
登録日2015-01-24
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.708 Å)
主引用文献Structural Studies of Potassium Transport Protein KtrA Regulator of Conductance of K+ (RCK) C Domain in Complex with Cyclic Diadenosine Monophosphate (c-di-AMP)
J.Biol.Chem., 290, 2015
8PEE
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ABCB1 L335C mutant (mABCB1) in the inward facing state bound to AAC
分子名称: (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1, ...
著者Parey, K, Januliene, D, Gewering, T, Moeller, A.
登録日2023-06-13
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
6PH9
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Crystal Structure of the Klebsiella pneumoniae LpxH-lipid X complex
分子名称: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Cho, J, Zhou, P.
登録日2019-06-25
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020
8CM6
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BU of 8cm6 by Molmil
W-formate dehydrogenase C872A from Desulfovibrio vulgaris - with Formamide
分子名称: 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CHLORIDE ION, ...
著者Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J.
登録日2023-02-17
公開日2023-09-27
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (1.416 Å)
主引用文献An allosteric redox switch involved in oxygen protection in a CO 2 reductase.
Nat.Chem.Biol., 20, 2024
6YP7
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PSII-LHCII C2S2 supercomplex from Pisum sativum grown in high light conditions
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Grinzato, A, Albanese, P, Zanotti, G, Pagliano, C.
登録日2020-04-15
公開日2020-11-25
最終更新日2020-12-02
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献High-Light versus Low-Light: Effects on Paired Photosystem II Supercomplex Structural Rearrangement in Pea Plants.
Int J Mol Sci, 21, 2020
8I8X
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Cryo-EM Structure of OmpC3-MlaA-MlaC Complex in MSP2N2 Nanodiscs
分子名称: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, Intermembrane phospholipid transport system binding protein MlaC, Intermembrane phospholipid transport system lipoprotein MlaA, ...
著者Yeow, J, Luo, M, Chng, S.S.
登録日2023-02-05
公開日2023-12-20
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Molecular mechanism of phospholipid transport at the bacterial outer membrane interface.
Nat Commun, 14, 2023
7QXE
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Recognition of Staphylococcus aureus wall teichoic acid analogue TB87 (compound 3) by Fab4497
分子名称: Antibody 4497 light chain, Antibody Fab 4497 heavy chain, CHLORIDE ION, ...
著者Soriano-Maldonado, P, van Raaij, M.J.
登録日2022-01-26
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Antibody Recognition of Different Staphylococcus aureus Wall Teichoic Acid Glycoforms.
Acs Cent.Sci., 8, 2022
8BQH
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W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 1.5 min
分子名称: 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CHLORIDE ION, ...
著者Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J.
登録日2022-11-21
公開日2023-01-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation.
Int J Mol Sci, 24, 2022

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