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3C4E
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BU of 3c4e by Molmil
Pim-1 Kinase Domain in Complex with 3-aminophenyl-7-azaindole
分子名称: IMIDAZOLE, N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine, Proto-oncogene serine/threonine-protein kinase Pim-1
著者Zhang, K.Y.J, Wang, W.
登録日2008-01-29
公開日2008-02-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
Proc.Natl.Acad.Sci.Usa, 105, 2008
3ET2
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BU of 3et2 by Molmil
Structure of PPARdelta with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid
分子名称: 1-BUTANOL, 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid, Peroxisome proliferator-activated receptor delta
著者Zhang, K.Y.J, Wang, W.
登録日2008-10-06
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106, 2009
3ET0
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BU of 3et0 by Molmil
Structure of PPARgamma with 3-(5-Methoxy-1H-indol-3-yl)-propionic acid
分子名称: 3-(5-methoxy-1H-indol-3-yl)propanoic acid, Peroxisome proliferator-activated receptor gamma, alpha-D-glucopyranose
著者Zhang, K.Y.J, Wang, W.
登録日2008-10-06
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106, 2009
3ET1
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BU of 3et1 by Molmil
Structure of PPARalpha with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid
分子名称: 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid, Peroxisome proliferator-activated receptor alpha, Steroid receptor coactivator 1
著者Zhang, K.Y.J, Wang, W.
登録日2008-10-06
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106, 2009
3ET3
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BU of 3et3 by Molmil
Structure of PPARgamma with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid
分子名称: 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid, Peroxisome proliferator-activated receptor gamma, Steroid receptor coactivator 1
著者Zhang, K.Y.J, Wang, W.
登録日2008-10-06
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106, 2009
4YGX
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BU of 4ygx by Molmil
Crystal Structure of D. melanogaster Ssu72+Symplekin bound to cis peptidomimetic CTD phospho-Ser5 peptide
分子名称: LD40846p, Symplekin, cis peptidomimetic CTD phospho-Ser5 peptide
著者Mayfield, J.E, Zhang, Y.
登録日2015-02-26
公開日2015-09-16
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Chemical Tools To Decipher Regulation of Phosphatases by Proline Isomerization on Eukaryotic RNA Polymerase II.
Acs Chem.Biol., 10, 2015
4YH1
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BU of 4yh1 by Molmil
Structure of Human Scp1 bound to cis-proline peptidomimetic CTD phospho-Ser5 peptide
分子名称: A small phosphatase 1, Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1, MAGNESIUM ION
著者Mayfield, J.E, Zhang, Y.
登録日2015-02-26
公開日2015-09-16
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Chemical Tools To Decipher Regulation of Phosphatases by Proline Isomerization on Eukaryotic RNA Polymerase II.
Acs Chem.Biol., 10, 2015
4YGY
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BU of 4ygy by Molmil
Crystal Structure of Human Scp1 bound to trans-proline peptidomimetic CTD phospho-Ser5 peptide
分子名称: Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1, MAGNESIUM ION, peptidomimetic CTD phospho-Ser5 peptide
著者Mayfield, J.E, Zhang, Y.
登録日2015-02-26
公開日2015-09-16
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Chemical Tools To Decipher Regulation of Phosphatases by Proline Isomerization on Eukaryotic RNA Polymerase II.
Acs Chem.Biol., 10, 2015
4ZM9
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BU of 4zm9 by Molmil
Crystal structure of circularly permuted human asparaginase-like protein 1
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CITRATE ANION, ...
著者Li, W.Z, Zhang, Y.
登録日2015-05-02
公開日2016-02-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Intramolecular Cleavage of the hASRGL1 Homodimer Occurs in Two Stages.
Biochemistry, 55, 2016
5TIG
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BU of 5tig by Molmil
CRYSTAL STRUCTURE OF 4-OXALOCROTONATE TAUTOMERASE INACTIVATED BY BrHPD
分子名称: (3E)-5-hydroxy-2-oxopent-3-enoic acid, 2-hydroxymuconate tautomerase
著者Zhang, Y, Li, W, Stack, T.
登録日2016-10-02
公開日2018-02-21
最終更新日2019-04-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Inactivation of 4-Oxalocrotonate Tautomerase by 5-Halo-2-hydroxy-2,4-pentadienoates.
Biochemistry, 57, 2018
5TSU
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BU of 5tsu by Molmil
Active conformation for Engineered human cystathionine gamma lyase (E59N, R119L, E339V) to depleting methionine
分子名称: CYSTEINE, Cystathionine gamma-lyase, METHIONINE, ...
著者Yan, W, Zhang, Y.
登録日2016-10-31
公開日2017-10-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Snapshots of an Engineered Cystathionine-gamma-lyase Reveal the Critical Role of Electrostatic Interactions in the Active Site.
Biochemistry, 56, 2017
4N8N
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BU of 4n8n by Molmil
Crystal structure of Mycobacterial FtsX extracellular domain
分子名称: Cell division protein FtsX, POTASSIUM ION
著者Mavrici, D.
登録日2013-10-17
公開日2014-05-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.874 Å)
主引用文献Mycobacterium tuberculosis FtsX extracellular domain activates the peptidoglycan hydrolase, RipC.
Proc.Natl.Acad.Sci.USA, 111, 2014
4N8O
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BU of 4n8o by Molmil
Crystal structure of Mycobacterial FtsX extracellular domain, bromide derivative
分子名称: BROMIDE ION, Cell division protein FtsX, POTASSIUM ION
著者Mavrici, D.
登録日2013-10-17
公開日2014-05-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mycobacterium tuberculosis FtsX extracellular domain activates the peptidoglycan hydrolase, RipC.
Proc.Natl.Acad.Sci.USA, 111, 2014
6O6L
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BU of 6o6l by Molmil
The Structure of EgtB(Cabther) in complex with Hercynine
分子名称: EgtB (Cabther), FE (III) ION, N,N,N-trimethyl-histidine
著者Irani, S, Zhang, Y.
登録日2019-03-07
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of the Ergothioneine Sulfoxide Synthase fromCandidatus Chloracidobacterium thermophilumand Structure-Guided Engineering To Modulate Its Substrate Selectivity.
Acs Catalysis, 9, 2019
6O6M
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BU of 6o6m by Molmil
The Structure of EgtB (Cabther)
分子名称: EgtB (Cabther), FE (III) ION, GLYCEROL
著者Irani, S, Zhang, Y.
登録日2019-03-07
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.506 Å)
主引用文献Crystal Structure of the Ergothioneine Sulfoxide Synthase fromCandidatus Chloracidobacterium thermophilumand Structure-Guided Engineering To Modulate Its Substrate Selectivity.
Acs Catalysis, 9, 2019
6OVG
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BU of 6ovg by Molmil
L-Methionine Depletion with an Engineered Human Enzyme Disrupts Prostate Cancer Metabolism
分子名称: Cystathionine gamma-lyase, SULFATE ION
著者Yan, W, Irani, S, Zhang, J.
登録日2019-05-07
公開日2020-04-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.719 Å)
主引用文献Enzyme-mediated depletion of serum l-Met abrogates prostate cancer growth via multiple mechanisms without evidence of systemic toxicity.
Proc.Natl.Acad.Sci.USA, 117, 2020
5TT2
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BU of 5tt2 by Molmil
Inactive conformation of engineered human cystathionine gamma lyase (E59N, R119L, E339V) to depleting methionine
分子名称: Cystathionine gamma-lyase, SULFATE ION
著者Yan, W, Zhang, Y.
登録日2016-10-31
公開日2017-10-11
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (2.949 Å)
主引用文献Structural Snapshots of an Engineered Cystathionine-gamma-lyase Reveal the Critical Role of Electrostatic Interactions in the Active Site.
Biochemistry, 56, 2017
5V12
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BU of 5v12 by Molmil
Crystal structure of Carbon Sulfoxide lyase, Egt2 Y134F with sulfenic acid intermediate
分子名称: (1S)-1-carboxy-2-[2-(hydroxysulfanyl)-1H-imidazol-4-yl]-N,N,N-trimethylethan-1-aminium, FORMIC ACID, Hercynylcysteine sulfoxide lyase
著者Irani, S, Zhang, Y.
登録日2017-03-01
公開日2018-03-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.451 Å)
主引用文献Snapshots of C-S Cleavage in Egt2 Reveals Substrate Specificity and Reaction Mechanism.
Cell Chem Biol, 25, 2018
5V1X
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BU of 5v1x by Molmil
Carbon Sulfoxide lyase, Egt2 Y134F in complex with its substrate
分子名称: (1S)-2-{2-[(R)-(2R)-2-amino-2-carboxyethanesulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethan-1-aminium, FORMIC ACID, Hercynylcysteine sulfoxide lyase
著者Irani, S, Zhang, Y.
登録日2017-03-02
公開日2018-03-07
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.558 Å)
主引用文献Snapshots of C-S Cleavage in Egt2 Reveals Substrate Specificity and Reaction Mechanism.
Cell Chem Biol, 25, 2018
5UTS
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BU of 5uts by Molmil
Carbon Sulfoxide lyase, Egt2 in the Ergothioneine biosynthesis pathway
分子名称: C-S Lyase Egt2, FORMIC ACID
著者Irani, S, Zhang, Y.
登録日2017-02-15
公開日2018-02-21
最終更新日2019-03-20
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Snapshots of C-S Cleavage in Egt2 Reveals Substrate Specificity and Reaction Mechanism.
Cell Chem Biol, 25, 2018
7VWA
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BU of 7vwa by Molmil
Helicoverpa armigera pheromone-binding protein PBP1 with Z-9-hexadecenal
分子名称: (Z)-hexadec-9-enal, PBP1
著者Zheng, J, Chen, Z.
登録日2021-11-10
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Insights into the Ligand-Binding and -Releasing Mechanism of Helicoverpa armigera Pheromone-Binding Protein PBP1.
Int J Mol Sci, 23, 2022
7VW8
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BU of 7vw8 by Molmil
Helicoverpa armigera pheromone-binding protein PBP1 at pH 7.5
分子名称: PBP1
著者Zheng, J, Chen, Z.
登録日2021-11-09
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural Insights into the Ligand-Binding and -Releasing Mechanism of Helicoverpa armigera Pheromone-Binding Protein PBP1.
Int J Mol Sci, 23, 2022
7VW9
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BU of 7vw9 by Molmil
Helicoverpa armigera pheromone-binding protein PBP1 at pH 5.5
分子名称: PBP1
著者Zheng, J, Chen, Z.
登録日2021-11-10
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Insights into the Ligand-Binding and -Releasing Mechanism of Helicoverpa armigera Pheromone-Binding Protein PBP1.
Int J Mol Sci, 23, 2022
6KW1
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BU of 6kw1 by Molmil
The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide 1b
分子名称: 2-[3-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]benzoic acid, ACETATE ION, Beta-lactamase class B VIM-2, ...
著者Yang, K.W, Xiang, Y.
登録日2019-09-05
公開日2020-09-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.775212 Å)
主引用文献Kinetic, Thermodynamic, and Crystallographic Studies of 2-Triazolylthioacetamides as Verona Integron-Encoded Metallo-beta-Lactamase 2 (VIM-2) Inhibitor.
Biomolecules, 10, 2020
6BGN
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BU of 6bgn by Molmil
Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate
分子名称: 2-hydroxymuconate tautomerase, 5-fluoranyl-2-oxidanylidene-pentanoic acid, GLYCEROL, ...
著者Zhang, Y, Li, W, Stack, T.
登録日2017-10-29
公開日2018-02-21
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Inactivation of 4-Oxalocrotonate Tautomerase by 5-Halo-2-hydroxy-2,4-pentadienoates.
Biochemistry, 57, 2018

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