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6MAY
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BU of 6may by Molmil
Crystal structure of N-myristoyl transferase (NMT) G386E mutant from Plasmodium vivax
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Glycylpeptide N-tetradecanoyltransferase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-08-29
公開日2019-06-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-Guided Identification of Resistance Breaking Antimalarial N‐Myristoyltransferase Inhibitors.
Cell Chem Biol, 26, 2019
6NXG
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BU of 6nxg by Molmil
Crystal structure of glycylpeptide N-tetradecanoyltransferase from Plasmodium vivax in complex with inhibitor 303a
分子名称: 1,2-ETHANEDIOL, 5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one, BETA-MERCAPTOETHANOL, ...
著者Staker, B.L, Mayclin, S, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-02-08
公開日2020-01-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of Selective Inhibitors ofPlasmodiumN-Myristoyltransferase by High-Throughput Screening.
J.Med.Chem., 63, 2020
6SC9
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BU of 6sc9 by Molmil
dAb3/HOIP-RBR-HOIPIN-8
分子名称: 2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid, CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, ...
著者Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K.
登録日2019-07-23
公開日2019-11-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
6SC8
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BU of 6sc8 by Molmil
dAb3/HOIP-RBR-Ligand4
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ...
著者Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K.
登録日2019-07-23
公開日2019-11-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.106 Å)
主引用文献Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
6SC7
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BU of 6sc7 by Molmil
dAb3/HOIP-RBR-Ligand3
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ...
著者Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K.
登録日2019-07-23
公開日2019-11-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
6SC6
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BU of 6sc6 by Molmil
dAb3/HOIP-RBR apo structure
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ...
著者Tsai, Y.-C.I, House, D, Rittinger, K.
登録日2019-07-23
公開日2019-11-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
6SC5
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BU of 6sc5 by Molmil
dAb3/HOIP-RBR-Ligand2
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ...
著者Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K.
登録日2019-07-23
公開日2019-11-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
4Y76
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BU of 4y76 by Molmil
Factor Xa complex with GTC000401
分子名称: CALCIUM ION, Coagulation factor X, N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide
著者Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
登録日2015-02-13
公開日2015-09-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
4Y79
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BU of 4y79 by Molmil
Factor Xa complex with GTC000406
分子名称: (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide, CALCIUM ION, Coagulation factor X, ...
著者Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
登録日2015-02-13
公開日2015-09-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
6T2J
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BU of 6t2j by Molmil
dAb3
分子名称: PHOSPHATE ION, Single domain antibody
著者Tsai, Y.-C.I, House, D, Rittinger, K.
登録日2019-10-08
公開日2019-11-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
6MB0
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BU of 6mb0 by Molmil
Crystal structure of N-myristoyl transferase (NMT) G386E mutant from Plasmodium vivax in complex with inhibitor IMP-1002
分子名称: 1,2-ETHANEDIOL, 1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-08-29
公開日2019-06-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Guided Identification of Resistance Breaking Antimalarial N‐Myristoyltransferase Inhibitors.
Cell Chem Biol, 26, 2019
6MB1
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BU of 6mb1 by Molmil
Crystal structure of N-myristoyl transferase (NMT) from Plasmodium vivax in complex with inhibitor IMP-1002
分子名称: 1,2-ETHANEDIOL, 1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-08-29
公開日2019-06-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Guided Identification of Resistance Breaking Antimalarial N‐Myristoyltransferase Inhibitors.
Cell Chem Biol, 26, 2019
6QM8
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BU of 6qm8 by Molmil
Leishmania tarentolae proteasome 20S subunit apo structure
分子名称: Proteasome alpha1 chain, Proteasome alpha2 chain, Proteasome alpha3 chain, ...
著者Rowland, P, Goswami, P.
登録日2019-02-01
公開日2019-04-17
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Preclinical candidate for the treatment of visceral leishmaniasis that acts through proteasome inhibition.
Proc.Natl.Acad.Sci.USA, 116, 2019
6QM7
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BU of 6qm7 by Molmil
Leishmania tarentolae proteasome 20S subunit complexed with GSK3494245
分子名称: Proteasome alpha1 chain, Proteasome alpha2 chain, Proteasome alpha3 chain, ...
著者Rowland, P, Goswami, P.
登録日2019-02-01
公開日2019-04-17
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Preclinical candidate for the treatment of visceral leishmaniasis that acts through proteasome inhibition.
Proc.Natl.Acad.Sci.USA, 116, 2019
2XVQ
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BU of 2xvq by Molmil
Human serum albumin complexed with dansyl-L-sarcosine
分子名称: DANSYL-L-SARCOSINE, SERUM ALBUMIN
著者Ryan, A.J, Curry, S.
登録日2010-10-27
公開日2010-11-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin.
J.Struct.Biol., 174, 2011
2XVU
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BU of 2xvu by Molmil
Human serum albumin complexed with dansyl-L-asparagine
分子名称: DANSYL-L-ASPARAGINE, SERUM ALBUMIN
著者Zunszain, P.A, Curry, S.
登録日2010-10-28
公開日2010-11-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin.
J.Struct.Biol., 174, 2011
2XVV
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BU of 2xvv by Molmil
Human serum albumin complexed with dansyl-L-asparagine and myristic acid
分子名称: DANSYL-L-ASPARAGINE, MYRISTIC ACID, SERUM ALBUMIN
著者Ghuman, J, Curry, S.
登録日2010-10-28
公開日2010-11-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin.
J.Struct.Biol., 174, 2011
2XVW
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BU of 2xvw by Molmil
Human serum albumin complexed with dansyl-L-arginine and myristic acid
分子名称: DANSYL-L-ARGININE, MYRISTIC ACID, SERUM ALBUMIN
著者Ghuman, J, Curry, S.
登録日2010-10-28
公開日2010-11-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin.
J.Struct.Biol., 174, 2011
2XW0
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BU of 2xw0 by Molmil
Human serum albumin complexed with dansyl-L-phenylalanine
分子名称: DANSYL-L-PHENYLALANINE, SERUM ALBUMIN
著者Ryan, A.J, Curry, S.
登録日2010-10-28
公開日2010-11-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin.
J.Struct.Biol., 174, 2011
2XSI
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BU of 2xsi by Molmil
Human serum albumin complexed with dansyl-L-glutamate and myristic acid
分子名称: DANSYL-L-GLUTAMATE, MYRISTIC ACID, SERUM ALBUMIN
著者Ghuman, J, Curry, S.
登録日2010-10-29
公開日2010-11-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin.
J.Struct.Biol., 174, 2011
2XW1
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BU of 2xw1 by Molmil
Human serum albumin complexed with dansyl-L-norvaline
分子名称: DANSYL-L-NORVALINE, SERUM ALBUMIN
著者Ryan, A.J, Curry, S.
登録日2010-10-28
公開日2010-11-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin.
J.Struct.Biol., 174, 2011
2YDF
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BU of 2ydf by Molmil
HUMAN SERUM ALBUMIN COMPLEXED WITH IOPHENOXIC ACID
分子名称: IOPHENOXIC ACID, SERUM ALBUMIN
著者Ryan, A.J, Curry, S.
登録日2011-03-18
公開日2011-04-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystallographic Analysis Reveals the Structural Basis of the High-Affinity Binding of Iophenoxic Acid to Human Serum Albumin.
Bmc Struct.Biol., 11, 2011
6ZAC
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BU of 6zac by Molmil
PI3K Delta in complex with [(dimethylamino)methyldihydrobenzoxazin2methoxypyridinyl]methanesulfonamide
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide
著者Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P.
登録日2020-06-05
公開日2020-07-01
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
6ZAD
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BU of 6zad by Molmil
PI3K Delta in complex with methoxymethyloxathiatetraazatetracyclodocosahexaenedione
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, methoxymethyloxathiatetraazatetracyclodocosahexaenedione
著者Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P.
登録日2020-06-05
公開日2020-07-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
6ZAA
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BU of 6zaa by Molmil
PI3K Delta in complex with methoxy(methylsulfamoyl)pyridinylN(methylpiperidinyl)dihydrobenzoxazinecarboxamide
分子名称: 4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P.
登録日2020-06-05
公開日2020-07-15
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020

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