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2RGI
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BU of 2rgi by Molmil
Crystal structure of Ca2+-free S100A2 at 1.6 A resolution
分子名称: ISOPROPYL ALCOHOL, Protein S100-A2, SODIUM ION
著者Koch, M, Diez, J, Fritz, G.
登録日2007-10-03
公開日2008-01-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of Ca2+ -free S100A2 at 1.6-A resolution.
J.Mol.Biol., 378, 2008
2RPK
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BU of 2rpk by Molmil
Solution Structure of Domain II of the Positive Polarity CCHMVD Hammerhead Ribozyme
分子名称: RNA (5'-R(*GP*GP*GP*AP*UP*CP*CP*AP*UP*GP*AP*CP*AP*GP*GP*AP*UP*CP*CP*C)-3')
著者Gallego, J, Dufour, D, de la Pena, M, Gago, S, Flores, R.
登録日2008-05-28
公開日2008-12-30
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure-function analysis of the ribozymes of chrysanthemum chlorotic mottle viroid: a loop-loop interaction motif conserved in most natural hammerheads
Nucleic Acids Res., 37, 2009
2RT5
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BU of 2rt5 by Molmil
Structural insights into the recruitment of SMRT by the co-repressor SHARP under phosphorylative regulation
分子名称: Msx2-interacting protein, peptide from Silencing mediator of retinoic acid and thyroid hormone receptor
著者Mikami, S, Kanaba, T, Mishima, M.
登録日2013-04-22
公開日2013-12-04
最終更新日2022-08-24
実験手法SOLUTION NMR
主引用文献Structural insights into the recruitment of SMRT by the corepressor SHARP under phosphorylative regulation.
Structure, 22, 2014
2RN7
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BU of 2rn7 by Molmil
NMR solution structure of TnpE protein from Shigella flexneri. Northeast Structural Genomics Target SfR125
分子名称: IS629 orfA
著者Ramelot, T.A, Cort, J.R, Semesi, A, Garcia, M, Yee, A.A, Arrowsmith, C.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2007-12-08
公開日2008-01-15
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR solution structure of TnpE protein from Shigella flexneri. Northeast Structural Genomics Target SfR125
To be Published
2ROW
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BU of 2row by Molmil
The C1 domain of ROCK II
分子名称: Rho-associated protein kinase 2, ZINC ION
著者Wen, W, Zhang, M.
登録日2008-04-25
公開日2008-06-24
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The C1 domain of ROCK II
To be Published
8FJZ
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BU of 8fjz by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(3R,5S)-3-Amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
分子名称: (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1
著者McTigue, M, Johnson, E, Cronin, C.
登録日2022-12-20
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FH4
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BU of 8fh4 by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undec-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
分子名称: (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION
著者McTigue, M, Johnson, E, Cronin, C.
登録日2022-12-13
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.827 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FKO
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BU of 8fko by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(2S,5R)-5-Amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
分子名称: (3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1
著者McTigue, M, Johnson, E, Cronin, C.
登録日2022-12-21
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
6LHE
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BU of 6lhe by Molmil
Crystal Structure of Gold-bound NDM-1
分子名称: GOLD ION, Metallo-beta-lactamase type 2, SULFATE ION
著者Wang, H, Sun, H, Wang, M.
登録日2019-12-07
公開日2020-09-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.206 Å)
主引用文献Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
7RZC
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BU of 7rzc by Molmil
Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor
分子名称: (1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-08-27
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor
To be Published
6L9F
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BU of 6l9f by Molmil
Crystal structure of TEAD4 in complex with a novel FAM181A peptide
分子名称: ACETATE ION, Protein FAM181A, Transcriptional enhancer factor TEF-3
著者Chen, M, Zhou, Z.
登録日2019-11-09
公開日2019-12-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.555 Å)
主引用文献Crystal structure of TEAD4 in complex with a novel FAM181A peptide
To be published
6LB0
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BU of 6lb0 by Molmil
The cryo-EM structure of HEV VLP in complex with Fab 8C11
分子名称: Protein ORF2
著者Zheng, Q, He, M, Li, S.
登録日2019-11-13
公開日2019-12-04
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Viral neutralization by antibody-imposed physical disruption.
Proc.Natl.Acad.Sci.USA, 2019
6MDD
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BU of 6mdd by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Imidazo-pyridine 24
分子名称: 5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Fodor, M, Stams, T.
登録日2018-09-04
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6LBU
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BU of 6lbu by Molmil
Crystal structure of yeast Stn1 and Ten1
分子名称: KLLA0C11825p, KLLA0E09417p
著者Ge, Y, Wu, Z, Wu, J, Lei, M.
登録日2019-11-14
公開日2020-07-15
最終更新日2020-08-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into telomere protection and homeostasis regulation by yeast CST complex.
Nat.Struct.Mol.Biol., 27, 2020
6KVD
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BU of 6kvd by Molmil
Crystal structure of human nucleosome containing H2A.J
分子名称: CHLORIDE ION, DNA (146-MER), Histone H2A.J, ...
著者Tanaka, H, Koyama, M, Sato, S, Kujirai, T, Kurumizaka, H.
登録日2019-09-04
公開日2019-12-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Biochemical and structural analyses of the nucleosome containing human histone H2A.J.
J.Biochem., 167, 2020
7RZP
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BU of 7rzp by Molmil
Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2866
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, Dihydropteridine reductase, ...
著者Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-08-27
公開日2021-09-29
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens.
Microbiol Spectr, 10, 2022
7S6P
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BU of 7s6p by Molmil
The crystal structure of human ISG15
分子名称: Ubiquitin-like protein ISG15
著者Osipiuk, J, Tesar, C, Jedrzejczak, R, Endres, M, Wydorski, P, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-09-14
公開日2021-09-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023
7SDR
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BU of 7sdr by Molmil
Papain-Like Protease of SARS CoV-2 in Complex with Jun9-72-2 Inhibitor
分子名称: 1,2-ETHANEDIOL, 4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol, CHLORIDE ION, ...
著者Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-09-29
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Papain-Like Protease of SARS CoV-2 in Complex with Jun9-72-2 Inhibitor
To be Published
7S0N
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BU of 7s0n by Molmil
Structure of MS3494 from Mycobacterium Smegmatis determined by Solution NMR
分子名称: Secreted protein
著者Kent, J.E, Tian, Y, Shin, K, Zhang, L, Niederweis, M, Marassi, F.M.
登録日2021-08-30
公開日2021-10-06
実験手法SOLUTION NMR
主引用文献Structure of MS3494 from Mycobacterium Smegmatis
To Be Published
7S14
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BU of 7s14 by Molmil
Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae 86-028NP
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Kim, Y, Maltseva, N, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-08-31
公開日2021-10-06
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens.
Microbiol Spectr, 10, 2022
7RZL
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BU of 7rzl by Molmil
Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2846 in complex with 4-nitrophenol
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, ...
著者Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-08-27
公開日2021-09-29
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens.
Microbiol Spectr, 10, 2022
6L0Q
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BU of 6l0q by Molmil
Crystal Structure of the O-Phosphoserine Sulfhydrylase from Aeropyrum pernix Complexed with O-Phosphoserine
分子名称: (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Protein CysO
著者Nakabayashi, M, Takeda, E, Ishikawa, K, Nakamura, T.
登録日2019-09-26
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Identification of amino acid residues important for recognition of O-phospho-l-serine substrates by cysteine synthase.
J.Biosci.Bioeng., 131, 2021
8UO9
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BU of 8uo9 by Molmil
Structure of synaptic vesicle protein 2A in complex with a nanobody
分子名称: (4R)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(4,4,4-trifluorobutyl)pyrrolidin-2-one, 1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE], 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mittal, A, Martin, M.F, Levin, E, Adams, C, Yang, M, Ledecq, M, Horanyi, P.S, Coleman, J.A.
登録日2023-10-19
公開日2024-05-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structures of synaptic vesicle protein 2A and 2B bound to anticonvulsants.
Nat.Struct.Mol.Biol., 2024
7S2N
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BU of 7s2n by Molmil
Crystal structure of the F337L mutation of Trypanosoma cruzi glucokinase in the apo form (open conformation)
分子名称: Glucokinase 1
著者Carey, S.M, Nettles, R.B, Daneshian, L, Chruszcz, M, D'Antonio, E.L.
登録日2021-09-03
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of the F337L mutation of Trypanosoma cruzi glucokinase in the apo form (open conformation)
To Be Published
6L2N
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BU of 6l2n by Molmil
Crystal structure of the R.PabI(Y68F-K154A)-dsDNA(GTAC-3bp-GTAC) complex
分子名称: DNA (5'-D(*TP*CP*AP*GP*CP*AP*GP*TP*AP*CP*TP*AP*AP*GP*TP*AP*CP*TP*GP*CP*TP*GP*A)-3'), RE_R_Pab1 domain-containing protein
著者Miyazono, K, Wang, D, Ito, T, Tanokura, M.
登録日2019-10-05
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Distortion of double-stranded DNA structure by the binding of the restriction DNA glycosylase R.PabI.
Nucleic Acids Res., 48, 2020

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