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5TCM
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BU of 5tcm by Molmil
First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536
分子名称: 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Uncharacterized protein
著者Lin, Y.H, Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC)
登録日2016-09-15
公開日2016-10-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536
To be published
3KV5
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BU of 3kv5 by Molmil
Structure of KIAA1718, human Jumonji demethylase, in complex with N-oxalylglycine
分子名称: FE (II) ION, JmjC domain-containing histone demethylation protein 1D, N-OXALYLGLYCINE, ...
著者Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X.
登録日2009-11-29
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases.
Nat.Struct.Mol.Biol., 17, 2010
3L1X
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BU of 3l1x by Molmil
Crystal Structure of U-box Domain of Human E4B Ubiquitin Ligase
分子名称: Ubiquitin conjugation factor E4 B
著者Benirschke, R, Thompson, J.R, Mer, G.
登録日2009-12-14
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular Basis for the Association of Human E4B U Box Ubiquitin Ligase with E2-Conjugating Enzymes UbcH5c and Ubc4.
Structure, 18, 2010
3KTF
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BU of 3ktf by Molmil
Structure of the N-terminal BRCT domain of human microcephalin (MCPH1).
分子名称: CHLORIDE ION, Microcephalin
著者Singh, N, Heroux, A, Thompson, J.R, Mer, G.
登録日2009-11-25
公開日2009-12-15
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of N-terminal BRCT domain of human microcephalin (MCPH1)
To be Published
3KV9
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BU of 3kv9 by Molmil
Structure of KIAA1718 Jumonji domain
分子名称: FE (II) ION, JmjC domain-containing histone demethylation protein 1D, OXYGEN MOLECULE
著者Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X.
登録日2009-11-29
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases.
Nat.Struct.Mol.Biol., 17, 2010
3KUL
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BU of 3kul by Molmil
Kinase domain of human ephrin type-A receptor 8 (EPHA8)
分子名称: BETA-MERCAPTOETHANOL, Ephrin type-A receptor 8, GLYCEROL, ...
著者Walker, J.R, Yermekbayeva, L, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2009-11-27
公開日2009-12-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Kinase Domain of Human Ephrin Type-A Receptor 8 (Epha8)
To be Published
3L1Z
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BU of 3l1z by Molmil
Crystal structure of the U-BOX domain of human E4B ubiquitin ligase in complex with UBCH5C E2 ubiquitin conjugating enzyme
分子名称: Ubiquitin conjugation factor E4 B, Ubiquitin-conjugating enzyme E2 D3
著者Benirschke, R, Thompson, J.R, Mer, G.
登録日2009-12-14
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Molecular Basis for the Association of Human E4B U Box Ubiquitin Ligase with E2-Conjugating Enzymes UbcH5c and Ubc4.
Structure, 18, 2010
3L4H
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BU of 3l4h by Molmil
Helical box domain and second WW domain of the human E3 ubiquitin-protein ligase HECW1
分子名称: ACETIC ACID, E3 ubiquitin-protein ligase HECW1
著者Walker, J.R, Qiu, L, Li, Y, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2009-12-20
公開日2010-05-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The tandem helical box and second WW domains of human HECW1
To be Published
3L19
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BU of 3l19 by Molmil
Crystal structure of calcium binding domain of CpCDPK3, cgd5_820
分子名称: CALCIUM ION, Calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands, GLYCEROL, ...
著者Qiu, W, Hutchinson, A, Wernimont, A, Walker, J.R, Sullivan, H, Lin, Y.-H, Mackenzie, F, Kozieradzki, I, Cossar, D, Schapira, M, Senisterra, G, Vedadi, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2009-12-11
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structure of calcium binding domain of CpCDPK3, cgd5_820
To be Published
3KVB
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BU of 3kvb by Molmil
Structure of KIAA1718 Jumonji domain in complex with N-oxalylglycine
分子名称: JmjC domain-containing histone demethylation protein 1D, N-OXALYLGLYCINE, NICKEL (II) ION, ...
著者Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X.
登録日2009-11-29
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases.
Nat.Struct.Mol.Biol., 17, 2010
3KVA
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BU of 3kva by Molmil
Structure of KIAA1718 Jumonji domain in complex with alpha-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, FE (II) ION, JmjC domain-containing histone demethylation protein 1D, ...
著者Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X.
登録日2009-11-29
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases.
Nat.Struct.Mol.Biol., 17, 2010
3KV4
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BU of 3kv4 by Molmil
Structure of PHF8 in complex with histone H3
分子名称: 1,2-ETHANEDIOL, FE (II) ION, Histone H3-like, ...
著者Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X.
登録日2009-11-29
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases.
Nat.Struct.Mol.Biol., 17, 2010
3KV6
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BU of 3kv6 by Molmil
Structure of KIAA1718, human Jumonji demethylase, in complex with alpha-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, FE (II) ION, JmjC domain-containing histone demethylation protein 1D, ...
著者Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X.
登録日2009-11-29
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases.
Nat.Struct.Mol.Biol., 17, 2010
3L1Y
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BU of 3l1y by Molmil
Crystal structure of human UBC4 E2 conjugating enzyme
分子名称: Ubiquitin-conjugating enzyme E2 D2
著者Benirschke, R, Thompson, J.R, Mer, G.
登録日2009-12-14
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular Basis for the Association of Human E4B U Box Ubiquitin Ligase with E2-Conjugating Enzymes UbcH5c and Ubc4.
Structure, 18, 2010
3KRY
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BU of 3kry by Molmil
Crystal structure of MMP-13 in complex with SC-78080
分子名称: 1-(2-methoxyethyl)-N-oxo-4-({4-[4-(trifluoromethoxy)phenoxy]phenyl}sulfonyl)piperidine-4-carboxamide, CALCIUM ION, Collagenase 3, ...
著者Kiefer, J.R, Williams, J.M, Becker, D.P.
登録日2009-11-19
公開日2010-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Orally-active MMP-1 sparing alpha-tetrahydropyranyl and alpha-piperidinyl sulfone matrix metalloproteinase (MMP) inhibitors with efficacy in cancer, arthritis, and cardiovascular disease
J.Med.Chem., 53, 2010
3KXO
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BU of 3kxo by Molmil
An orally active inhibitor bound at the active site of HPGDS
分子名称: 6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, Glutathione-requiring prostaglandin D synthase, ...
著者Kiefer, J.R, Day, J.E, Thorarensen, A.
登録日2009-12-03
公開日2010-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of an oral potent selective inhibitor of hematopoietic prostaglandin D synthase
TO BE PUBLISHED
3L8S
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BU of 3l8s by Molmil
Human p38 MAP Kinase in Complex with CP-547632
分子名称: 3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Rauh, D.
登録日2010-01-03
公開日2010-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations.
J.Am.Chem.Soc., 132, 2010
3LQ6
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BU of 3lq6 by Molmil
Crystal Structure of Murine Norovirus Protruding (P) Domain
分子名称: Capsid protein
著者Rubin, J.R, Stuckey, J.A.
登録日2010-02-08
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-resolution x-ray structure and functional analysis of the murine norovirus 1 capsid protein protruding domain.
J.Virol., 84, 2010
3LIJ
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BU of 3lij by Molmil
Crystal structure of full length CpCDPK3 (cgd5_820) in complex with Ca2+ and AMPPNP
分子名称: CALCIUM ION, Calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands, MAGNESIUM ION, ...
著者Qiu, W, Hutchinson, A, Wernimont, A, Walker, J.R, Sullivan, H, Lin, Y.-H, Mackenzie, F, Kozieradzki, I, Cossar, D, Schapira, M, Senisterra, G, Vedadi, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2010-01-25
公開日2010-02-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of full length CpCDPK3 (cgd5_820) in complex with Ca2+ and AMPPNP
To be Published
3LFC
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BU of 3lfc by Molmil
Human p38 MAP Kinase in Complex with RL99
分子名称: (4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1H-pyrazol-1-yl}phenyl)acetic acid, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2010-01-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
3LJZ
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BU of 3ljz by Molmil
Crystal Structure of Human MMP-13 complexed with an Amino-2-indanol compound
分子名称: (2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydroxy-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Shieh, H.-S, Kiefer, J.R.
登録日2010-01-26
公開日2011-02-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure analysis reveals the flexibility of the ADAMTS-5 active site.
Protein Sci., 20, 2011
3LC9
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BU of 3lc9 by Molmil
Ricin A-chain variant 1-33/44-198 with engineered disulfide bond
分子名称: Ricin A chain, SULFATE ION
著者Compton, J.R, Legler, P.M, Millard, C.B.
登録日2010-01-10
公開日2010-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Introduction of a disulfide bond leads to stabilization and crystallization of a ricin immunogen.
Proteins, 79, 2011
3LFF
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BU of 3lff by Molmil
Human p38 MAP Kinase in Complex with RL166
分子名称: (4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2010-01-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
3LFE
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BU of 3lfe by Molmil
Human p38 MAP Kinase in Complex with RL116
分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2010-01-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
3LFB
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BU of 3lfb by Molmil
Human p38 MAP Kinase in Complex with RL98
分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2010-01-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published

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