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6DAW
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BU of 6daw by Molmil
X-ray crystal structure of NapI L-arginine desaturase bound to Fe(II), L-arginine, and acetate
分子名称: ACETATE ION, ARGININE, FE (II) ION, ...
著者Mitchell, A.J, Dunham, N.P, Boal, A.K.
登録日2018-05-02
公開日2018-05-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance.
J. Am. Chem. Soc., 140, 2018
6DAX
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BU of 6dax by Molmil
X-ray crystal structure of VioC bound to Fe(II), L-homoarginine, and 2-oxoglutarate
分子名称: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ...
著者Dunham, N.P, Mitchell, A.J, Boal, A.K.
登録日2018-05-02
公開日2018-05-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance.
J. Am. Chem. Soc., 140, 2018
6DAY
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BU of 6day by Molmil
Xanthomonas albilineans Dihydropteroate synthase with 4-aminobenzoic acid at 1.65 A
分子名称: 4-AMINOBENZOIC ACID, Dihydropteroate synthase, GLYCEROL, ...
著者Oliveira, A.A, Guido, R.V.C, Lima, G.M.A, Bueno, R.V, Maluf, F.V.
登録日2018-05-02
公開日2018-06-06
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Xanthomonas albilineans Dihydropteroate synthase with 4-aminobenzoic acid
To Be Published
6DAZ
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BU of 6daz by Molmil
X-ray crystal structure of VioC bound to Fe(II), 3S-hydroxy-L-homoarginine, and succinate
分子名称: (3S)-N~6~-carbamimidoyl-3-hydroxy-L-lysine, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ...
著者Dunham, N.P, Mitchell, A.J, Boal, A.K.
登録日2018-05-02
公開日2018-05-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance.
J. Am. Chem. Soc., 140, 2018
6DB0
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BU of 6db0 by Molmil
N-Terminal bromodomain of Human BRD2 with a Tetrahydroquinoline analogue
分子名称: 1,2-ETHANEDIOL, 1-[(2S,4R)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1H-pyrazol-3-yl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者White, S.W, Yun, M.
登録日2018-05-02
公開日2019-11-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献N-Terminal bromodomain of Human BRD2 with a Tetrahydroquinoline analogue
To Be Published
6DB1
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BU of 6db1 by Molmil
2.0 Angstrom Resolution Crystal Structure of N-Terminal Ligand-Binding Domain of Putative Methyl-Accepting Chemotaxis Protein from Salmonella enterica
分子名称: CHLORIDE ION, Putative methyl-accepting chemotaxis protein
著者Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-05-02
公開日2018-05-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献2.0 Angstrom Resolution Crystal Structure of N-Terminal Ligand-Binding Domain of Putative Methyl-Accepting Chemotaxis Protein from Salmonella enterica.
To Be Published
6DB2
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BU of 6db2 by Molmil
X-ray crystal structure of VioC bound to vanadyl ion, L-homoarginine, and succinate
分子名称: 1,2-ETHANEDIOL, Alpha-ketoglutarate-dependent L-arginine hydroxylase, L-HOMOARGININE, ...
著者Dunham, N.P, Mitchell, A.J, Boal, A.K.
登録日2018-05-02
公開日2018-05-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance.
J. Am. Chem. Soc., 140, 2018
6DB3
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BU of 6db3 by Molmil
JAK3 with Cyanamide CP23
分子名称: Tyrosine-protein kinase JAK3, [(1S)-1-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]cyanamide
著者Vajdos, F.F.
登録日2018-05-02
公開日2018-11-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6DB4
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BU of 6db4 by Molmil
JAK3 with Cyanamide CP34
分子名称: N-[(1S)-6-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2018-05-02
公開日2018-11-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.662 Å)
主引用文献Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6DB5
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BU of 6db5 by Molmil
Crystal structure of anti-HIV-1 V3 Fab TA6 in complex with a HIV-1 gp120 V3 peptide from NY5 strain
分子名称: HIV-1 gp120 V3 peptide from NY5 strain, Human monoclonal anti-HIV-1 gp120 V3 antibody TA6 Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody TA6 Fab light chain
著者Chan, K.-W, Kong, X.-P.
登録日2018-05-02
公開日2018-07-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献Structural Comparison of Human Anti-HIV-1 gp120 V3 Monoclonal Antibodies of the Same Gene Usage Induced by Vaccination and Chronic Infection.
J. Virol., 92, 2018
6DB6
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BU of 6db6 by Molmil
Crystal structure of anti-HIV-1 V3 Fab 311-11D in complex with a HIV-1 gp120 V3 peptide from MN strain
分子名称: HIV-1 gp120 V3 peptide from MN strain, Human monoclonal anti-HIV-1 gp120 V3 antibody 311-11D Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 311-11D Fab light chain, ...
著者Chan, K.-W, Kong, X.-P.
登録日2018-05-02
公開日2018-07-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.978 Å)
主引用文献Structural Comparison of Human Anti-HIV-1 gp120 V3 Monoclonal Antibodies of the Same Gene Usage Induced by Vaccination and Chronic Infection.
J. Virol., 92, 2018
6DB7
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BU of 6db7 by Molmil
Crystal structure of anti-HIV-1 V3 Fab 1334 in complex with a HIV-1 gp120 V3 peptide from MN strain
分子名称: GLYCEROL, HIV-1 gp120 V3 peptide from MN strain, Human monoclonal anti-HIV-1 gp120 V3 antibody 1334 Fab heavy chain, ...
著者Chan, K.-W, Kong, X.-P.
登録日2018-05-02
公開日2018-07-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.213 Å)
主引用文献Structural Comparison of Human Anti-HIV-1 gp120 V3 Monoclonal Antibodies of the Same Gene Usage Induced by Vaccination and Chronic Infection.
J. Virol., 92, 2018
6DB8
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BU of 6db8 by Molmil
Structural basis for promiscuous binding and activation of fluorogenic dyes by DIR2s RNA aptamer
分子名称: 2-[(Z)-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium, Fab-Heavy chain, Fab-Light chain, ...
著者Shao, Y, Shelke, S.A, Laski, A, Piccirilli, J.A.
登録日2018-05-02
公開日2018-11-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.86541343 Å)
主引用文献Structural basis for activation of fluorogenic dyes by an RNA aptamer lacking a G-quadruplex motif.
Nat Commun, 9, 2018
6DB9
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BU of 6db9 by Molmil
Structural basis for promiscuous binding and activation of fluorogenic dyes by DIR2s RNA aptamer
分子名称: Fab-Heavy-Chain, Fab-Light-Chain, MAGNESIUM ION, ...
著者Shao, Y, Shelke, S.A, Laski, A, Piccirilli, J.A.
登録日2018-05-02
公開日2018-11-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.025 Å)
主引用文献Structural basis for activation of fluorogenic dyes by an RNA aptamer lacking a G-quadruplex motif.
Nat Commun, 9, 2018
6DBA
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BU of 6dba by Molmil
Crystal Structure of VHH R303
分子名称: nanobody VHH R303
著者Brooks, C.L, Toride King, M, Huh, I.
登録日2018-05-02
公開日2018-07-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis of VHH-mediated neutralization of the food-borne pathogenListeria monocytogenes.
J. Biol. Chem., 293, 2018
6DBB
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BU of 6dbb by Molmil
Crystal structure of a Putative aldehyde dehydrogenase family protein Burkholderia cenocepacia J2315 in complex with partially reduced NADH
分子名称: 1,2-ETHANEDIOL, BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-05-02
公開日2018-08-29
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a Putative aldehyde dehydrogenase family protein Burkholderia cenocepacia J2315 in complex with partially reduced NADH
TO BE PUBLISHED
6DBC
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BU of 6dbc by Molmil
Second bromodomain of Human BRD2 with a Tetrahydroquinoline analogue
分子名称: 1,2-ETHANEDIOL, 1-[(2S,4R)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1H-pyrazol-3-yl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one, Bromodomain-containing protein 2
著者White, S.W, Yun, M.
登録日2018-05-03
公開日2019-11-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Second bromodomain of Human BRD2 with a Tetrahydroquinoline analogue
To Be Published
6DBD
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BU of 6dbd by Molmil
Crystal Structure of VHH R326
分子名称: ACETATE ION, SODIUM ION, nanobody VHH R326
著者Brooks, C.L, Toride King, M, Huh, I.
登録日2018-05-03
公開日2018-07-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献Structural basis of VHH-mediated neutralization of the food-borne pathogenListeria monocytogenes.
J. Biol. Chem., 293, 2018
6DBE
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BU of 6dbe by Molmil
Crystal Structure of VHH R330
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, nanobody VHH R303
著者Brooks, C.L, Toride King, M, Huh, I.
登録日2018-05-03
公開日2018-07-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis of VHH-mediated neutralization of the food-borne pathogenListeria monocytogenes.
J. Biol. Chem., 293, 2018
6DBF
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BU of 6dbf by Molmil
Crystal Structure of VHH R303 in complex with InlB-LRR
分子名称: InlB specific VHH R303, Listeria virulence factor InlB
著者Brooks, C.L, Toride King, M, Huh, I.
登録日2018-05-03
公開日2018-07-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural basis of VHH-mediated neutralization of the food-borne pathogenListeria monocytogenes.
J. Biol. Chem., 293, 2018
6DBG
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BU of 6dbg by Molmil
Crystal Structure of VHH R303 in complex with InlB-LRR-IR
分子名称: Internalin B, VHH R303
著者Brooks, C.L, Toride King, M, Huh, I.
登録日2018-05-03
公開日2018-07-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural basis of VHH-mediated neutralization of the food-borne pathogenListeria monocytogenes.
J. Biol. Chem., 293, 2018
6DBH
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BU of 6dbh by Molmil
Crystal structure of PPAR gamma in complex with NMP422
分子名称: 4-{2-[(2,3-dioxo-1-pentyl-2,3-dihydro-1H-indol-5-yl)sulfanyl]ethyl}benzoic acid, CHLORIDE ION, Peroxisome proliferator-activated receptor gamma
著者Mou, T.C, Chrisman, I.M, Hughes, T.S, Sprang, S.R.
登録日2018-05-03
公開日2019-05-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.597 Å)
主引用文献Crystal structure of PPAR gamma in complex with NMP422
To Be Published
6DBI
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BU of 6dbi by Molmil
Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS nicked DNA intermediates
分子名称: CALCIUM ION, Forward strand of 12-RSS signal end, Forward strand of 23-RSS signal end, ...
著者Wu, H, Liao, M, Ru, H, Mi, W.
登録日2018-05-03
公開日2018-08-01
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献DNA melting initiates the RAG catalytic pathway.
Nat. Struct. Mol. Biol., 25, 2018
6DBJ
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BU of 6dbj by Molmil
Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS nicked DNA intermediates
分子名称: CALCIUM ION, Forward stand of RSS signal end, Forward strand of coding flank, ...
著者Wu, H, Liao, M, Ru, H, Mi, W.
登録日2018-05-03
公開日2018-08-01
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献DNA melting initiates the RAG catalytic pathway.
Nat. Struct. Mol. Biol., 25, 2018
6DBK
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BU of 6dbk by Molmil
Tyk2 with compound 8
分子名称: 4-({4-[(1S,4S)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-N-ethylbenzamide, Non-receptor tyrosine-protein kinase TYK2
著者Vajdos, F.F.
登録日2018-05-03
公開日2018-08-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018

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件を2025-06-11に公開中

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