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6V99
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BU of 6v99 by Molmil
Agrobacterium tumefaciens ADP-Glucose pyrophosphorylase- S72D in the presence of sulfate
分子名称: Glucose-1-phosphate adenylyltransferase, SULFATE ION
著者Zheng, Y, Alghamdi, M.A, Ballicora, M.A, Liu, D.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.287 Å)
主引用文献Site-directed mutagenesis of Serine-72 reveals the location of the fructose 6-phosphate regulatory site of the Agrobacterium tumefaciens ADP-glucose pyrophosphorylase.
Protein Sci., 31, 2022
5CRL
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BU of 5crl by Molmil
Crystal Structure of the Transcription Activator Tn501 MerR in Complex with Mercury (II)
分子名称: MERCURY (II) ION, Mercuric resistance operon regulatory protein
著者Wang, D, Gan, J.H, Chen, H.
登録日2015-07-23
公開日2016-09-07
最終更新日2023-04-12
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Analysis of the Hg(II)-Regulatory Protein Tn501 MerR from Pseudomonas aeruginosa.
Sci Rep, 6, 2016
6YQ1
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BU of 6yq1 by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(3-{[2-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-methanesulfonamide
分子名称: Focal adhesion kinase 1, SODIUM ION, SULFATE ION, ...
著者Musil, D, Heinrich, T, Amaral, M.
登録日2020-04-16
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.784 Å)
主引用文献Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
5CSY
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BU of 5csy by Molmil
Disproportionating enzyme 1 from Arabidopsis - acarbose soak
分子名称: 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ...
著者O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M.
登録日2015-07-23
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1).
J.Biol.Chem., 290, 2015
6YR9
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BU of 6yr9 by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide
分子名称: Focal adhesion kinase 1, N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide
著者Musil, D, Amaral, M.
登録日2020-04-19
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.925 Å)
主引用文献Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
5DB5
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BU of 5db5 by Molmil
Crystal structure of PLP-bound E. coli SufS (cysteine persulfide intermediate) in space group P21
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, CYSTEINE, ...
著者Arbing, M.A, Shin, A, Koo, C.W, Medrano-Soto, A, Eisenberg, D.
登録日2015-08-20
公開日2016-08-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of PLP-bound E. coli SufS (cysteine persulfide intermediate) in space group P21
To Be Published
6YLA
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BU of 6yla by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I.
登録日2020-04-06
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
5CUW
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BU of 5cuw by Molmil
Crystal structure of Sortase E1 from Streptomyces coelicolor with tripeptide in the active site
分子名称: GLYCEROL, SrtE1
著者Kattke, M.D, Cascio, D, Sawaya, M.R, Clubb, R.T.
登録日2015-07-25
公開日2016-08-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.887 Å)
主引用文献Crystal structure of the first class E sortase transpeptidase, SrtE1 from Streptomyces coelicolor
To be published
6YK8
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BU of 6yk8 by Molmil
OTU-like deubiquitinase from Legionella -Lpg2529
分子名称: PLATINUM (II) ION, Uncharacterized protein
著者Shin, D, Dikic, I.
登録日2020-04-05
公開日2021-02-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Bacterial OTU deubiquitinases regulate substrate ubiquitination upon Legionella infection.
Elife, 9, 2020
6MGA
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BU of 6mga by Molmil
Crystal Structure of Human Protocadherin-1 EC1-4 with glycosylation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protocadherin-1, ...
著者Modak, D, Sotomayor, M.
登録日2018-09-13
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Identification of an adhesive interface for the non-clustered delta 1 protocadherin-1 involved in respiratory diseases.
Commun Biol, 2, 2019
6YOJ
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BU of 6yoj by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 6-[4-(3-Methanesulfonyl-benzylamino)-5-trifluoromethyl-pyrimidin-2-ylamino]-3,4-dihydro-1H-quinolin-2-one
分子名称: 6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1~{H}-quinolin-2-one, Focal adhesion kinase 1
著者Musil, D, Heinrich, T.
登録日2020-04-14
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.361 Å)
主引用文献Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
5CXV
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BU of 5cxv by Molmil
Structure of the human M1 muscarinic acetylcholine receptor bound to antagonist Tiotropium
分子名称: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, 1,2-ETHANEDIOL, CHOLESTEROL HEMISUCCINATE, ...
著者Sun, B, Feng, D, Li, X, Kobilka, T.S, Kobilka, B.K.
登録日2015-07-29
公開日2016-03-09
最終更新日2016-03-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of the M1 and M4 muscarinic acetylcholine receptors.
Nature, 531, 2016
1NMQ
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BU of 1nmq by Molmil
Extendend Tethering: In Situ Assembly of Inhibitors
分子名称: 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3
著者Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T.
登録日2003-01-10
公開日2003-03-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
5CYI
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BU of 5cyi by Molmil
CDK2/Cyclin A covalent complex with 6-(cyclohexylmethoxy)-N-(4-(vinylsulfonyl)phenyl)-9H-purin-2-amine (NU6300)
分子名称: 6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2
著者Anscombe, E, Meschini, E, Vidal, R.M, Martin, M.P, Staunton, D, Geitmann, M, Danielson, U.H, Stanley, W.A, Wang, L.Z, Reuillon, T, Golding, B.T, Cano, C, Newell, D.R, Noble, M.E.M, Wedge, S.R, Endicott, J.A, Griffin, R.J.
登録日2015-07-30
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and Characterization of an Irreversible Inhibitor of CDK2.
Chem.Biol., 22, 2015
5D11
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BU of 5d11 by Molmil
Kinase domain of cSrc in complex with RL235
分子名称: GLYCEROL, N-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src
著者Becker, C, Gruetter, C, Engel, J, Rauh, D.
登録日2015-08-03
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach.
J.Med.Chem., 58, 2015
6MCK
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BU of 6mck by Molmil
p97 D1D2 with CB5083 bound
分子名称: 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide, Transitional endoplasmic reticulum ATPase
著者Xia, D, Tang, W.K.
登録日2018-08-31
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.77 Å)
主引用文献Structural Basis of p97 Inhibition by the Site-Selective Anticancer Compound CB-5083.
Mol. Pharmacol., 95, 2019
5DH7
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BU of 5dh7 by Molmil
Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction-G12A mutant in Mn2+
分子名称: 5'-R(*GP*GP*GP*CP*GP*UP*DC*UP*GP*GP*GP*CP*AP*GP*UP*AP*CP*CP*CP*A)-3', MANGANESE (II) ION, RNA (48-MER)
著者Mir, A, Chen, J, Neau, D, Golden, B.L.
登録日2015-08-29
公開日2015-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.064 Å)
主引用文献Two Divalent Metal Ions and Conformational Changes Play Roles in the Hammerhead Ribozyme Cleavage Reaction.
Biochemistry, 54, 2015
5CPT
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BU of 5cpt by Molmil
Disproportionating enzyme 1 from Arabidopsis - beta cyclodextrin soak
分子名称: 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ...
著者O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M.
登録日2015-07-21
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1).
J.Biol.Chem., 290, 2015
6UZN
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BU of 6uzn by Molmil
HLA-B*15:02 complexed with a synthetic peptide
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
著者Schutte, R.J, Li, D, Ostrov, D.A.
登録日2019-11-15
公開日2020-11-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献HLA-B*15:02 complexed with a synthetic peptide
To Be Published
6UZS
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BU of 6uzs by Molmil
HLA-B*15:01 complexed with a synthetic peptide
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
著者Schutte, R.J, Li, D, Ostrov, D.A.
登録日2019-11-15
公開日2020-11-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献HLA-B*15:02 complexed with a synthetic peptide
To Be Published
6VA9
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BU of 6va9 by Molmil
Crystal structure of glucose-6-phosphate dehydrogenase R393H mutant in complex with catalytic NADP+
分子名称: Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Horikoshi, N, Mochly-Rosen, D, Wakatsuki, S.
登録日2019-12-17
公開日2021-01-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.95 Å)
主引用文献Long-range structural defects by pathogenic mutations in most severe glucose-6-phosphate dehydrogenase deficiency.
Proc.Natl.Acad.Sci.USA, 118, 2021
1OEO
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BU of 1oeo by Molmil
PTP1B with the catalytic cysteine oxidized to sulfonic acid
分子名称: PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1
著者Salmeen, A, Andersen, J.N, Myers, M.P, Meng, T.C, Hinks, J.A, Tonks, N.K, Barford, D.
登録日2003-03-28
公開日2003-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Redox Regulation of Protein Tyrosine Phosphatase Involves a Sulfenyl-Amide Intermediate
Nature, 423, 2003
5DFN
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BU of 5dfn by Molmil
Structure of Tetrahymena Telomerase P45 C-terminal domain
分子名称: Telomerase associated protein p45
著者Chan, H, Cascio, D, Sawaya, M.R, Feigon, J.
登録日2015-08-27
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.382 Å)
主引用文献Structure of Tetrahymena telomerase reveals previously unknown subunits, functions, and interactions.
Science, 350, 2015
6M0F
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BU of 6m0f by Molmil
X-ray structure of Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) in substrate-free form
分子名称: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Antibody fragment (9D5) Light chain, Antibody fragment (9D5) heavy chain, ...
著者Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A.
登録日2020-02-21
公開日2021-02-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters.
Nat Commun, 12, 2021
6LSV
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BU of 6lsv by Molmil
Crystal structure of JOX2 in complex with 2OG, Fe, and JA
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, Probable 2-oxoglutarate-dependent dioxygenase At5g05600, ...
著者Zhang, X, Wang, D, Liu, J.
登録日2020-01-20
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.651 Å)
主引用文献Structure-guided analysis of Arabidopsis JASMONATE-INDUCED OXYGENASE (JOX) 2 reveals key residues for recognition of jasmonic acid substrate by plant JOXs.
Mol Plant, 14, 2021

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