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8DFT
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BU of 8dft by Molmil
Cryo-EM structure of conjugative pili from Pyrobaculum calidifontis
分子名称: Pilin protein, [(2~{S},7~{S},11~{S},15~{S},19~{R},22~{R},26~{S},30~{R},34~{R},38~{S},43~{S},47~{S},51~{S},55~{R},58~{R},62~{S},66~{R},70~{R})-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol
著者Beltran, L.C, Egelman, E.H.
登録日2022-06-22
公開日2023-03-22
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Archaeal DNA-import apparatus is homologous to bacterial conjugation machinery.
Nat Commun, 14, 2023
2Q3X
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The RIM1alpha C2B domain
分子名称: CHLORIDE ION, Regulating synaptic membrane exocytosis protein 1, SODIUM ION, ...
著者Guan, R, Dai, H, Tomchick, D.R, Machius, M, Sudhof, T.C, Rizo, J.
登録日2007-05-30
公開日2007-08-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal Structure of the RIM1alpha C(2)B Domain at 1.7 A Resolution.
Biochemistry, 46, 2007
6KPR
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BU of 6kpr by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with B12155 inhibitor
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]butanoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Vanichtanankul, J, Vitsupakorn, D.
登録日2019-08-15
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
Bioorg.Med.Chem., 27, 2019
4MCO
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BU of 4mco by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Rhodoferax ferrireducens (Rfer_1840), target EFI-510211, with bound malonate
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MALONATE ION, TRAP dicarboxylate transporter-DctP subunit
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-08-21
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
6MN5
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Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, H154A mutant, in complex with gentamicin C1A
分子名称: (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ...
著者Stogios, P.J, Evdokimova, E, Kim, Y, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-10-01
公開日2018-10-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
6MMZ
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Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, H29A mutant apoenzyme
分子名称: Aminoglycoside N(3)-acetyltransferase, CHLORIDE ION, SULFATE ION
著者Stogios, P.J, Skarina, T, Xu, Z, Yim, V, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-10-01
公開日2018-10-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
6MN4
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Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, H154A mutant, in complex with apramycin
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, APRAMYCIN, ...
著者Stogios, P.J, Evdokimova, E, Michalska, K, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-10-01
公開日2018-10-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
4MNC
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Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_4736), Target EFI-510156, with bound benzoyl formate, space group P21
分子名称: BENZOYL-FORMIC ACID, SULFATE ION, TRAP dicarboxylate transporter-DctP subunit
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-09-10
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
6MN0
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BU of 6mn0 by Molmil
Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, H168A mutant in complex with acetyl-CoA
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETYL COENZYME *A, Aminoglycoside N(3)-acetyltransferase, ...
著者Stogios, P.J, Skarina, T, Zu, X, Yim, V, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-10-01
公開日2018-10-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
4MHF
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BU of 4mhf by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_3107), target EFI-510173, with bound alpha/beta D-Glucuronate, space group P21
分子名称: TRAP dicarboxylate transporter, DctP subunit, alpha-D-glucopyranuronic acid, ...
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-08-29
公開日2013-09-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
6MN3
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BU of 6mn3 by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, apoenzyme
分子名称: Aminoglycoside N(3)-acetyltransferase, AAC(3)-IVa, CHLORIDE ION, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-10-01
公開日2018-10-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
4MIJ
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BU of 4mij by Molmil
Crystal structure of a Trap periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_3107), target EFI-510173, with bound alpha/beta D-Galacturonate, space group P21
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, TRAP dicarboxylate transporter, ...
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-08-31
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4MNI
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BU of 4mni by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_4736), Target EFI-510156, with bound benzoyl formate, space group P6522
分子名称: BENZOYL-FORMIC ACID, TRAP dicarboxylate transporter-DctP subunit
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-09-10
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4MX6
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BU of 4mx6 by Molmil
Crystal structure of a trap periplasmic solute binding protein from shewanella oneidensis (SO_3134), target EFI-510275, with bound succinate
分子名称: CHLORIDE ION, SUCCINIC ACID, TRAP-type C4-dicarboxylate:H+ symport system substrate-binding component DctP
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-09-25
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
5DZ5
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BU of 5dz5 by Molmil
Crystal structure of Dendroaspis polylepis mambalgin-1 wild-type in P41212 space group
分子名称: Mambalgin-1
著者Stura, E.A, Tepshi, L, Mourier, G, Kessler, P, Servent, D.
登録日2015-09-25
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mambalgin-1 Pain-relieving Peptide, Stepwise Solid-phase Synthesis, Crystal Structure, and Functional Domain for Acid-sensing Ion Channel 1a Inhibition.
J.Biol.Chem., 291, 2016
6R1L
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BU of 6r1l by Molmil
Crystal structure of LmrR with bound copper phenanthroline
分子名称: 1,10-PHENANTHROLINE, COPPER (II) ION, Transcriptional regulator, ...
著者Reddem, R, Thunnissen, A.M.W.H.
登録日2019-03-14
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献Cofactor Binding Dynamics Influence the Catalytic Activity and Selectivity of an Artificial Metalloenzyme.
Acs Catalysis, 10, 2020
6ELC
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BU of 6elc by Molmil
Crystal Structure of O-linked Glycosylated VSG3
分子名称: Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Stebbins, C.E.
登録日2017-09-28
公開日2018-07-11
最終更新日2022-03-30
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献African trypanosomes evade immune clearance by O-glycosylation of the VSG surface coat.
Nat Microbiol, 3, 2018
4LN5
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Crystal structure of a trap periplasmic solute binding protein from burkholderia ambifaria (Bamb_6123), TARGET EFI-510059, with bound glycerol and chloride ion
分子名称: CHLORIDE ION, GLYCEROL, TRAP dicarboxylate transporter, ...
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-07-11
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
7UEB
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BU of 7ueb by Molmil
Photosynthetic assembly of Chlorobaculum tepidum (RC-FMO2)
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ...
著者Puskar, R, Truong, C.D, Swain, K, Li, S, Cheng, K.-W, Wang, T.Y, Poh, Y.-P, Liu, H, Chou, T.-F, Nannenga, B, Chiu, P.-L.
登録日2022-03-21
公開日2022-10-05
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Molecular asymmetry of a photosynthetic supercomplex from green sulfur bacteria.
Nat Commun, 13, 2022
7UEA
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Photosynthetic assembly of Chlorobaculum tepidum (RC-FMO1)
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ...
著者Puskar, R, Truong, C.D, Swain, K, Li, S, Cheng, K.-W, Wang, T.Y, Poh, Y.-P, Liu, H, Chou, T.-F, Nannenga, B, Chiu, P.-L.
登録日2022-03-21
公開日2022-10-05
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Molecular asymmetry of a photosynthetic supercomplex from green sulfur bacteria.
Nat Commun, 13, 2022
6T8P
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HKATII IN COMPLEX WITH LIGAND (2R)-N-benzyl-1-[6-methyl-5-(oxan-4-yl)-7-oxo-6H,7H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide, IODIDE ION, ...
著者Blaesse, M, Venalainen, J.
登録日2019-10-24
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Discovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
5YU7
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BU of 5yu7 by Molmil
CRYSTAL STRUCTURE OF EXPORTIN-5
分子名称: Exportin-5
著者Yamazawa, R, Jiko, C, Lee, S.J, Yamashita, E.
登録日2017-11-20
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.301 Å)
主引用文献Structural Basis for Selective Binding of Export Cargoes by Exportin-5
Structure, 26, 2018
5XGA
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Crystal structure of the EnvZ periplasmic domain with CHAPS
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ACETIC ACID, Osmolarity sensor protein EnvZ
著者Hwang, E, Cheong, H.K, Jeon, Y.H, Cheong, C.
登録日2017-04-13
公開日2017-07-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Crystal structure of the EnvZ periplasmic domain with CHAPS.
FEBS Lett., 591, 2017
4N8Y
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Crystal structure of a trap periplasmic solute binding protein from bradyrhizobium sp. btai1 b (bbta_0128), target EFI-510056 (bbta_0128), complex with alpha/beta-d-galacturonate
分子名称: Putative TRAP-type C4-dicarboxylate transport system, binding periplasmic protein (DctP subunit), alpha-D-galactopyranuronic acid, ...
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-10-18
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
6T8Q
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HKATII IN COMPLEX WITH LIGAND (2R)-N-benzyl-1-[6-methyl-5-(oxan-4-yl)-7-oxo-6H,7H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
分子名称: (2~{R})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{N}-(phenylmethyl)pyrrolidine-2-carboxamide, ACETATE ION, CADMIUM ION, ...
著者Blaesse, M, Venalainen, J.
登録日2019-10-24
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020

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