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5EE7
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Crystal structure of the human glucagon receptor (GCGR) in complex with the antagonist MK-0893
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3-[[4-[(1~{S})-1-[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid, Glucagon receptor,Endolysin,Glucagon receptor, ...
著者Jazayeri, A, Dore, A.S, Lamb, D, Krishnamurthy, H, Southall, S.M, Baig, A.H, Bortolato, A, Koglin, M, Robertson, N.J, Errey, J.C, Andrews, S.P, Brown, A.J.H, Cooke, R.M, Weir, M, Marshall, F.H.
登録日2015-10-22
公開日2016-04-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Extra-helical binding site of a glucagon receptor antagonist.
Nature, 533, 2016
6JQL
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Structure of PaaZ, a bifunctional enzyme
分子名称: Bifunctional protein PaaZ
著者Gakher, L, Vinothkumar, K.R, Katagihallimath, N, Sowdhamini, R, Sathyanarayanan, N, Cannone, G.
登録日2019-03-31
公開日2019-09-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular basis for metabolite channeling in a ring opening enzyme of the phenylacetate degradation pathway.
Nat Commun, 10, 2019
5EFU
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Resting state of rat cysteine dioxygenase H155Q variant
分子名称: Cysteine dioxygenase type 1, FE (II) ION
著者Fellner, M, Tchesnokov, E.P, Jameson, G.N.L, Wilbanks, S.M.
登録日2015-10-26
公開日2016-10-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Resting state of rat cysteine dioxygenase H155Q variant
To be published
5EES
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BU of 5ees by Molmil
Crystal structure of DapB in complex with NADP+ from Corynebacterium glutamicum
分子名称: 4-hydroxy-tetrahydrodipicolinate reductase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Sagong, H.-Y, Kim, K.-J.
登録日2015-10-23
公開日2015-11-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Insight into Dihydrodipicolinate Reductase from Corybebacterium glutamicum for Lysine Biosynthesis.
J. Microbiol. Biotechnol., 26, 2016
5H1C
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BU of 5h1c by Molmil
Human RAD51 post-synaptic complexes
分子名称: DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA repair protein RAD51 homolog 1, ...
著者Xu, J, Zhao, L, Xu, Y, Zhao, W, Sung, P, Wang, H.W.
登録日2016-10-08
公開日2016-12-21
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Cryo-EM structures of human RAD51 recombinase filaments during catalysis of DNA-strand exchange
Nat. Struct. Mol. Biol., 24, 2017
5GY7
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X-Ray structure of H243I mutant of UDP-Galactose 4-epimerase from E.coli:evidence for existence of open and closed active site during catalysis.
分子名称: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NITRATE ION, ...
著者Singh, N, Tiwari, P, Phulera, S, Dixit, A, Choudhury, D.
登録日2016-09-21
公開日2016-11-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献X-Ray structure of H243I mutant of UDP-Galactose 4-epimerase from E.coli:evidence for existence of open and closed active site during catalysis.
To Be Published
5GZY
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The complex structure of D-2-haloacid dehalogenase with L-LA
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, (R)-2-haloacid dehalogenase
著者Wang, Y, Xue, S.
登録日2016-10-02
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献The complex structure of D-2-haloacid dehalogenase with L-LA
To Be Published
5G5H
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Escherichia coli Periplasmic Aldehyde Oxidase R440H mutant
分子名称: ACETATE ION, Aldehyde oxidoreductase FAD-binding subunit PaoB, Aldehyde oxidoreductase iron-sulfur-binding subunit PaoA, ...
著者Correia, M.A.S, Otrelo-Cardoso, A.R, Romao, M.J, Santos-Silva, T.
登録日2016-05-25
公開日2016-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Escherichia Coli Periplasmic Aldehyde Oxidoreductase is an Exceptional Member of the Xanthine Oxidase Family of Molybdoenzymes.
Acs Chem.Biol., 11, 2016
5G4H
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1.50 A resolution catechol (1,2-dihydroxybenzene) inhibited Sporosarcina pasteurii urease
分子名称: 1,2-ETHANEDIOL, CATECHOL, HYDROXIDE ION, ...
著者Mazzei, L, Cianci, M, Musiani, F, Ciurli, S.
登録日2016-05-13
公開日2016-12-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Inactivation of Urease by Catechol: Kinetics and Structure.
J.Inorg.Biochem., 166, 2016
5G37
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MR structure of the binary mosquito larvicide BinAB at pH 5
分子名称: 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN
著者Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
登録日2016-04-24
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
5H8L
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BU of 5h8l by Molmil
Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) C158S mutant in complex with putrescine
分子名称: 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, DI(HYDROXYETHYL)ETHER, ...
著者Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z.
登録日2015-12-23
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants.
Front Plant Sci, 7, 2016
5H8J
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Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) in complex with cadaverine
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z.
登録日2015-12-23
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants.
Front Plant Sci, 7, 2016
5END
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BU of 5end by Molmil
Crystal structure of beta-ketoacyl-acyl carrier protein reductase (FabG)(Q152A) from Vibrio cholerae
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase FabG, GLYCEROL
著者Hou, J, Cooper, D.R, Zheng, H, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-11-09
公開日2015-12-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Dissecting the Structural Elements for the Activation of beta-Ketoacyl-(Acyl Carrier Protein) Reductase from Vibrio cholerae.
J.Bacteriol., 198, 2015
5EQV
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BU of 5eqv by Molmil
1.45 Angstrom Crystal Structure of Bifunctional 2',3'-cyclic Nucleotide 2'-phosphodiesterase/3'-Nucleotidase Periplasmic Precursor Protein from Yersinia pestis with Phosphate bound to the Active site
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D-MALATE, FE (III) ION, ...
著者Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-11-13
公開日2015-11-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献1.45 Angstrom Crystal Structure of Bifunctional 2',3'-cyclic Nucleotide 2'-phosphodiesterase/3'-Nucleotidase Periplasmic Precursor Protein from Yersinia pestis with Phosphate bound to the Active site.
To Be Published
5EEC
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BU of 5eec by Molmil
Crystal structure of KPC-2 beta-lactamase in complex with the S02030 boronic acid inhibitor
分子名称: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, SULFATE ION
著者Nguyen, N.Q, van den Akker, F.
登録日2015-10-22
公開日2016-02-03
最終更新日2016-03-09
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal Structures of KPC-2 and SHV-1 beta-Lactamases in Complex with the Boronic Acid Transition State Analog S02030.
Antimicrob.Agents Chemother., 60, 2016
5EHE
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Crystal structure of human carbonic anhydrase isozyme II with 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2015-10-28
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
5EJ2
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BU of 5ej2 by Molmil
Crystal structure of Carveol dehydrogenase from Mycobacterium avium in complex with NAD
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Carveol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-10-31
公開日2015-12-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
5EKC
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BU of 5ekc by Molmil
Thermostable aldehyde dehydrogenase from Pyrobaculum sp.1860 complexed with NADP+
分子名称: Aldehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Petrova, T, Bezsudnova, E.Y, Boyko, K.M, Nikolaeva, A.Y, Rakitina, T.V, Shabalin, I.G, Popov, V.O.
登録日2015-11-03
公開日2016-11-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Structure of thermostable aldehyde dehydrogenase from Pyrobaculum sp.1860 complexed with NADP+
To Be Published
5ERC
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BU of 5erc by Molmil
X-ray crystal structure of BRPF1 PZP domain
分子名称: CALCIUM ION, Peregrin, ZINC ION
著者Klein, B.J, Andrews, F.H, Kutateladze, T.G.
登録日2015-11-13
公開日2015-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Bivalent interaction of the PZP domain of BRPF1 with the nucleosome impacts chromatin dynamics and acetylation.
Nucleic Acids Res., 44, 2016
5EKS
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BU of 5eks by Molmil
Structure of 3-dehydroquinate synthase from Acinetobacter baumannii in complex with NAD
分子名称: 3-dehydroquinate synthase, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-11-04
公開日2015-12-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of 3-dehydroquinate synthase from Acinetobacter baumannii in complex with NAD
to be published
6JQM
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Structure of PaaZ with NADPH
分子名称: Bifunctional protein PaaZ, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Gakher, L, Vinothkumar, K.R, Katagihallimath, N, Sowdhamini, R, Sathyanarayanan, N, Cannone, G.
登録日2019-03-31
公開日2019-09-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular basis for metabolite channeling in a ring opening enzyme of the phenylacetate degradation pathway.
Nat Commun, 10, 2019
5FL1
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Structure of a hydrolase with an inhibitor
分子名称: (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]thiazole-6,7-diol, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J.
登録日2015-10-20
公開日2016-08-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase.
Chem Sci, 7, 2016
2ZBX
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BU of 2zbx by Molmil
Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (wild type) with imidazole bound
分子名称: Cytochrome P450-SU1, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
著者Sugimoto, H, Shinkyo, R, Hayashi, K, Yoneda, S, Yamada, M, Kamakura, M, Ikushiro, S, Shiro, Y, Sakaki, T.
登録日2007-10-30
公開日2008-04-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of CYP105A1 (P450SU-1) in Complex with 1alpha,25-Dihydroxyvitamin D3
Biochemistry, 47, 2008
5FL0
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Structure of a hydrolase with an inhibitor
分子名称: (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d] [1,3]thiazole-6,7-diol, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J.
登録日2015-10-20
公開日2016-08-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase.
Chem Sci, 7, 2016
5FSM
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BU of 5fsm by Molmil
MTH1 substrate recognition: Complex with a methylbenzimidazolyl acetamide.
分子名称: 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
登録日2016-01-06
公開日2016-07-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016

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