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7L26
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BU of 7l26 by Molmil
HPK1 IN COMPLEX WITH COMPOUND 38
分子名称: 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile, Mitogen-activated protein kinase kinase kinase kinase 1
著者Lesburg, C.A.
登録日2020-12-16
公開日2021-03-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of Potent Reverse Indazole Inhibitors for HPK1.
Acs Med.Chem.Lett., 12, 2021
7L24
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BU of 7l24 by Molmil
HPK1 IN COMPLEX WITH COMPOUND 11
分子名称: 6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase kinase kinase kinase 1
著者Lesburg, C.A.
登録日2020-12-16
公開日2021-03-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Identification of Potent Reverse Indazole Inhibitors for HPK1.
Acs Med.Chem.Lett., 12, 2021
4M5T
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BU of 4m5t by Molmil
Disulfide trapped human alphaB crystallin core domain in complex with C-terminal peptide
分子名称: Alpha-crystallin B chain, SULFATE ION
著者Laganowsky, A, Cascio, D, Hochberg, G, Sawaya, M.R, Benesch, J.L.P, Robinson, C.V, Eisenberg, D.
登録日2013-08-08
公開日2014-04-09
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structured core domain of alpha B-crystallin can prevent amyloid fibrillation and associated toxicity.
Proc.Natl.Acad.Sci.USA, 111, 2014
7L25
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BU of 7l25 by Molmil
HPK1 IN COMPLEX WITH COMPOUND 18
分子名称: 1,2-ETHANEDIOL, 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase kinase kinase kinase 1
著者Lesburg, C.A.
登録日2020-12-16
公開日2021-03-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of Potent Reverse Indazole Inhibitors for HPK1.
Acs Med.Chem.Lett., 12, 2021
4MB9
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BU of 4mb9 by Molmil
Structure of Streptococcus pneumonia ParE in complex with AZ13102335
分子名称: 1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3R)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea, DNA topoisomerase IV, B subunit, ...
著者Ogg, D, Tucker, J.
登録日2013-08-19
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B.
J.Med.Chem., 56, 2013
4MBC
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BU of 4mbc by Molmil
Structure of Streptococcus pneumonia ParE in complex with AZ13053807
分子名称: 1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea, DNA topoisomerase IV, B subunit
著者Ogg, D, Tucker, J.
登録日2013-08-19
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B.
J.Med.Chem., 56, 2013
7KOG
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BU of 7kog by Molmil
Lethocerus Myosin II complete coiled-coil domain resolved in its native environment
分子名称: Myosin heavy chain isoform Mhc_X1
著者Rahmani, H, Hu, Z, Daneshparvar, N, Taylor, D, Taylor, K.A.
登録日2020-11-09
公開日2021-03-24
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (4.25 Å)
主引用文献The myosin II coiled-coil domain atomic structure in its native environment.
Proc.Natl.Acad.Sci.USA, 118, 2021
7KMN
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BU of 7kmn by Molmil
Crystal structure of XAC1772, a GH35 xyloglucan-active beta-galactosidase from Xanthomonas citri
分子名称: Beta-galactosidase, GH35 family, SULFATE ION
著者Vieira, P.S, Murakami, M.T.
登録日2020-11-03
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Xyloglucan processing machinery in Xanthomonas pathogens and its role in the transcriptional activation of virulence factors
Nature Communications, 12, 2021
7KMP
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BU of 7kmp by Molmil
Crystal structure of the GH31 alpha-xylosidase (Xac1773) from Xanthomonas citri
分子名称: Alpha-xylosidase, GLYCEROL, POTASSIUM ION
著者Vieira, P.S, Murakami, M.T.
登録日2020-11-03
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.556 Å)
主引用文献Xyloglucan processing machinery in Xanthomonas pathogens and its role in the transcriptional activation of virulence factors
Nature Communications, 12, 2021
7KMM
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Crystal structure of XAC1771, a novel carbohydrate acetylesterase from Xanthomonas citri
分子名称: Sialic acid-specific 9-O-acetylesterase, ZINC ION
著者Vieira, P.S, Murakami, M.T.
登録日2020-11-03
公開日2021-05-26
最終更新日2021-07-07
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Xyloglucan processing machinery in Xanthomonas pathogens and its role in the transcriptional activation of virulence factors
Nature Communications, 12, 2021
7KMO
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BU of 7kmo by Molmil
Crystal structure of the GH35 beta-galactosidase (Xac1772) from Xanthomonas citri in complex with galactose
分子名称: Beta-galactosidase, GH35, GLYCEROL, ...
著者Vieira, P.S, Murakami, M.T.
登録日2020-11-03
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.753 Å)
主引用文献Xyloglucan processing machinery in Xanthomonas pathogens and its role in the transcriptional activation of virulence factors
Nature Communications, 12, 2021
7KNC
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BU of 7knc by Molmil
Crystal structure of the GH31 alpha-xylosidase (Xac1773) from Xanthomonas citri
分子名称: Alpha-xylosidase, GLYCEROL, POTASSIUM ION, ...
著者Vieira, P.S, Murakami, M.T.
登録日2020-11-04
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.873 Å)
主引用文献Xyloglucan processing machinery in Xanthomonas pathogens and its role in the transcriptional activation of virulence factors
Nature Communications, 12, 2021
7KMQ
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BU of 7kmq by Molmil
Crystal structure of the GH95 alpha-L-1,2-fucosidase (Xac1774) from Xanthomonas citri
分子名称: CALCIUM ION, GLYCEROL, Glyco_hyd_65N_2 domain-containing protein
著者Vieira, P.S, Murakami, M.T.
登録日2020-11-03
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.045 Å)
主引用文献Xyloglucan processing machinery in Xanthomonas pathogens and its role in the transcriptional activation of virulence factors
Nature Communications, 12, 2021
7KN8
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BU of 7kn8 by Molmil
Crystal structure of the GH74 xyloglucanase from Xanthomonas campestris (Xcc1752)
分子名称: 1,2-ETHANEDIOL, Cellulase, IODIDE ION, ...
著者Araujo, E.A, Vieira, P.S, Murakami, M.T, Polikarpov, I.
登録日2020-11-04
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Xyloglucan processing machinery in Xanthomonas pathogens and its role in the transcriptional activation of virulence factors
Nature Communications, 12, 2021
3QYG
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BU of 3qyg by Molmil
Crystal Structure of Co-type Nitrile Hydratase beta-E56Q from Pseudomonas putida.
分子名称: COBALT (III) ION, Co-type Nitrile Hydratase alpha subunit, Co-type Nitrile Hydratase beta subunit, ...
著者Brodkin, H.R, Novak, W.R.P, Ringe, D, Petsko, G.A.
登録日2011-03-03
公開日2011-03-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Evidence of the Participation of Remote Residues in the Catalytic Activity of Co-Type Nitrile Hydratase from Pseudomonas putida.
Biochemistry, 50, 2011
4LTH
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BU of 4lth by Molmil
Dehydration/Rehydration of a Nucleic Acid system containing a Polypyridyl Ruthenium Complex at 97% relative humidity (3/7)
分子名称: BARIUM ION, DNA, Ru(tap)2(dppz) complex
著者Hall, J.P, Sanchez-Weatherby, J, Cardin, C.J.
登録日2013-07-23
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Controlled Dehydration of a Ruthenium Complex-DNA Crystal Induces Reversible DNA Kinking.
J.Am.Chem.Soc., 136, 2014
7L4Z
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BU of 7l4z by Molmil
Structure of SARS-CoV-2 spike RBD in complex with cyclic peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-DTY-LYS-ALA-GLY-VAL-VAL-TYR-GLY-TYR-ASN-ALA-TRP-ILE-ARG-CYS-NH2, Spike protein S1
著者Christie, M, Mackay, J.P, Passioura, T, Payne, R.J.
登録日2020-12-21
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.96 Å)
主引用文献Discovery of Cyclic Peptide Ligands to the SARS-CoV-2 Spike Protein Using mRNA Display.
Acs Cent.Sci., 7, 2021
7KI8
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BU of 7ki8 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001580
分子名称: 1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amino)phenyl]piperidine-4-carboxylic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-10-23
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001580
to be published
7KI9
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BU of 7ki9 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001912
分子名称: 1-[2-(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}azetidin-1-yl)phenyl]piperidine-4-carboxylic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-10-23
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001912
to be published
3R8A
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BU of 3r8a by Molmil
X-ray crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a compound with dual PPAR gamma agonism and Angiotensin II Type I receptor antagonism activity
分子名称: 2-ethyl-5,7-dimethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3H-imidazo[4,5-b]pyridine, Peroxisome proliferator-activated receptor gamma
著者Ohren, J.F.
登録日2011-03-23
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Discovery of a Series of Imidazo[4,5-b]pyridines with Dual Activity at Angiotensin II Type 1 Receptor and Peroxisome Proliferator-Activated Receptor-gamma.
J.Med.Chem., 54, 2011
3RLN
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BU of 3rln by Molmil
Structural Basis of Cytosolic DNA Recognition by Innate Immune Receptors
分子名称: Gamma-interferon-inducible protein 16
著者Jin, T.C, Xiao, T.
登録日2011-04-19
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Structures of the HIN Domain:DNA Complexes Reveal Ligand Binding and Activation Mechanisms of the AIM2 Inflammasome and IFI16 Receptor.
Immunity, 36, 2012
7KYP
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BU of 7kyp by Molmil
PsaBC from Streptococcus pneumoniae in complex with Fab
分子名称: CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, Manganese ABC transporter, ATP-binding protein, ...
著者Maher, M.J, Sjohamn, J.
登録日2020-12-08
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The structural basis of bacterial manganese import.
Sci Adv, 7, 2021
7KYO
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PsaBC from Streptococcus pneumoniae in complex with Fab
分子名称: Fab heavy chain, Fab light chain, Manganese ABC transporter, ...
著者Maher, M.J, Sjohamn, J.
登録日2020-12-08
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献The structural basis of bacterial manganese import.
Sci Adv, 7, 2021
7KLD
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BU of 7kld by Molmil
Crystal Structure of an Essential Ribosomal Processing Protease Prp from S. aureus in complex with a covalently linked product Peptide
分子名称: CALCIUM ION, LYS-LEU-ASN-LEU-GLN-PHE-PCS, Phage-related ribosomal protease
著者Wright, H.T, Peterson, D.
登録日2020-10-29
公開日2021-09-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Phage-Related Ribosomal Protease (Prp) of Staphylococcus aureus : In Vitro Michaelis-Menten Kinetics, Screening for Inhibitors, and Crystal Structure of a Covalent Inhibition Product Complex.
Biochemistry, 61, 2022
4MKW
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Comparison of the structural and dynamic effects of 5-methylcytosine and 5-chlorocytosine in a CpG dinucleotide sequence
分子名称: 5methylC DNA dodecamer, MAGNESIUM ION
著者Yin, Y.W.
登録日2013-09-05
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.219 Å)
主引用文献Comparison of the structural and dynamic effects of 5-methylcytosine and 5-chlorocytosine in a CpG dinucleotide sequence.
Biochemistry, 52, 2013

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