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1HLW
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BU of 1hlw by Molmil
STRUCTURE OF THE H122A MUTANT OF THE NUCLEOSIDE DIPHOSPHATE KINASE
分子名称: NUCLEOSIDE DIPHOSPHATE KINASE
著者Admiraal, S.J, Meyer, P, Schneider, B, Deville-Bonne, D, Janin, J, Herschlag, D.
登録日2000-12-04
公開日2001-02-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Chemical rescue of phosphoryl transfer in a cavity mutant: a cautionary tale for site-directed mutagenesis.
Biochemistry, 40, 2001
8BN8
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BU of 8bn8 by Molmil
METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM3006
分子名称: 2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]methyl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit
著者Pilka, E.S, Thomas, B, Blackaby, W, Hardick, D, Feeney, K, Ridgill, M, Rotty, B, Rausch, O.
登録日2022-11-13
公開日2023-09-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.213 Å)
主引用文献Inhibition of METTL3 Results in a Cell-Intrinsic Interferon Response That Enhances Antitumor Immunity.
Cancer Discov, 13, 2023
8BO4
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BU of 8bo4 by Molmil
COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 1
分子名称: 4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, GLYCEROL
著者Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, M, Lang, D, Heitmeier, S, Hillisch, A.
登録日2022-11-14
公開日2023-09-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
7AFW
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BU of 7afw by Molmil
Beta-Catenin in complex with compound 6
分子名称: 3-[(2~{R})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile, Catenin beta-1
著者Boettcher, J, Kessler, D.
登録日2020-09-21
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.814 Å)
主引用文献Getting a Grip on the Undrugged: Targeting beta-Catenin with Fragment-Based Methods.
Chemmedchem, 16, 2021
1WKD
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BU of 1wkd by Molmil
TRNA-GUANINE TRANSGLYCOSYLASE
分子名称: TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION
著者Romier, C, Reuter, K, Suck, D, Ficner, R.
登録日1996-08-06
公開日1997-07-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Mutagenesis and crystallographic studies of Zymomonas mobilis tRNA-guanine transglycosylase reveal aspartate 102 as the active site nucleophile.
Biochemistry, 35, 1996
1WKF
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BU of 1wkf by Molmil
TRNA-GUANINE TRANSGLYCOSYLASE
分子名称: TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION
著者Romier, C, Reuter, K, Suck, D, Ficner, R.
登録日1996-08-06
公開日1997-07-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mutagenesis and crystallographic studies of Zymomonas mobilis tRNA-guanine transglycosylase reveal aspartate 102 as the active site nucleophile.
Biochemistry, 35, 1996
7N8I
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BU of 7n8i by Molmil
SARS-CoV-2 S (B.1.429 / epsilon variant) + S2M11 + S2L20 (Local Refinement of the NTD/S2L20)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Fab Heavy Chain Variable Region, S2L20 Fab Light Chain Variable Region, ...
著者McCallum, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2021-06-14
公開日2021-07-14
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献SARS-CoV-2 immune evasion by the B.1.427/B.1.429 variant of concern.
Science, 373, 2021
1WKE
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BU of 1wke by Molmil
TRNA-GUANINE TRANSGLYCOSYLASE
分子名称: TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION
著者Romier, C, Reuter, K, Suck, D, Ficner, R.
登録日1996-08-06
公開日1997-07-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mutagenesis and crystallographic studies of Zymomonas mobilis tRNA-guanine transglycosylase reveal aspartate 102 as the active site nucleophile.
Biochemistry, 35, 1996
7N8H
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BU of 7n8h by Molmil
SARS-CoV-2 S (B.1.429 / epsilon variant) + S2M11 + S2L20 Global Refinement
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-06-14
公開日2021-07-14
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献SARS-CoV-2 immune evasion by the B.1.427/B.1.429 variant of concern.
Science, 373, 2021
1GJC
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ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS
分子名称: 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR
著者Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L.
登録日2001-04-27
公開日2002-04-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
8B30
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BU of 8b30 by Molmil
Structure of the Reconstructed Ancestor of Phenolic Acid Decarboxylase AncPAD31
分子名称: Phenolic acid decarboxylase N31
著者Mokos, D, Schruefer, A, Gruber, K, Daniel, B.
登録日2022-09-15
公開日2023-09-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Stability Increase of Phenolic Acid Decarboxylase by a Combination of Protein and Solvent Engineering Unlocks Applications at Elevated Temperatures.
Acs Sustain Chem Eng, 12, 2024
6J2E
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BU of 6j2e by Molmil
Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Ebola virus-derived peptide EBOV-NP1
分子名称: Beta-2-microglobulin, EBOV-NP1, MHC class I antigen
著者Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J.
登録日2019-01-01
公開日2019-09-18
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
7APM
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BU of 7apm by Molmil
tRNA-guanine transglycosylase H319C mutant spin-labeled with MTSL.
分子名称: CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Nguyen, D, Heine, A, Klebe, G.
登録日2020-10-18
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Unraveling a Ligand-Induced Twist of a Homodimeric Enzyme by Pulsed Electron-Electron Double Resonance.
Angew.Chem.Int.Ed.Engl., 60, 2021
8CRO
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BU of 8cro by Molmil
Cryo-EM structure of Pyrococcus furiosus transcription elongation complex
分子名称: DNA Non-Template Strand, DNA Template Strand, DNA-directed RNA polymerase subunit Rpo10, ...
著者Tarau, D.M, Grunberger, F, Reichelt, R, Heiss, F.B, Pilsl, M, Hausner, W, Engel, C, Grohmann, D.
登録日2023-03-08
公開日2024-04-17
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis of archaeal RNA polymerase transcription elongation and Spt4/5 recruitment.
Nucleic Acids Res., 52, 2024
8CHW
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BU of 8chw by Molmil
Crystal structure of human PURA (fragment Pro216-Lys280, PUR repeat III)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Transcriptional activator protein Pur-alpha
著者Janowski, R, Niessing, D.
登録日2023-02-08
公開日2024-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association.
Elife, 13, 2024
8CHT
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BU of 8cht by Molmil
Crystal structure of human PURA (fragment Glu57-Glu212, PUR repeat I and II)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Transcriptional activator protein Pur-alpha
著者Janowski, R, Niessing, D.
登録日2023-02-08
公開日2024-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association.
Elife, 13, 2024
1GJ4
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BU of 1gj4 by Molmil
SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN
分子名称: 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ...
著者Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L.
登録日2001-04-27
公開日2002-04-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
8CHV
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BU of 8chv by Molmil
Crystal structure of human PURA (fragment Glu57-Glu212, PUR repeat I and II) R140P mutant
分子名称: Transcriptional activator protein Pur-alpha
著者Janowski, R, Niessing, D.
登録日2023-02-08
公開日2024-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association.
Elife, 13, 2024
7S1H
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BU of 7s1h by Molmil
Wild-type Escherichia coli ribosome with antibiotic linezolid
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D.
登録日2021-09-02
公開日2021-11-17
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.35 Å)
主引用文献Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics.
Nat.Struct.Mol.Biol., 29, 2022
6FR2
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BU of 6fr2 by Molmil
Soluble epoxide hydrolase in complex with LK864
分子名称: 1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
著者Kramer, J.S, Pogoryelov, D, Krasavin, M, Proschak, E.
登録日2018-02-15
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.262 Å)
主引用文献Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase.
Bioorg. Chem., 80, 2018
8CJ9
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BU of 8cj9 by Molmil
Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]benzamide
分子名称: 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Kopecny, D, Briozzo, P, Morera, S.
登録日2023-02-12
公開日2024-02-21
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024
8CHU
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BU of 8chu by Molmil
Crystal structure of human PURA repeat I-II K97E mutant
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Transcriptional activator protein Pur-alpha
著者Janowski, R, Niessing, D.
登録日2023-02-08
公開日2024-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association.
Elife, 13, 2024
7S1G
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BU of 7s1g by Molmil
wild-type Escherichia coli stalled ribosome with antibiotic linezolid
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D.
登録日2021-09-02
公開日2021-11-17
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics.
Nat.Struct.Mol.Biol., 29, 2022
8CHF
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BU of 8chf by Molmil
cryo-EM Structure of Craf:14-3-3:Mek1
分子名称: 14-3-3 protein zeta isoform X1, 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Dedden, D, Ulrich, G.
登録日2023-02-07
公開日2024-02-21
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (4.25 Å)
主引用文献Cryo-EM Structures of CRAF 2 /14-3-3 2 and CRAF 2 /14-3-3 2 /MEK1 2 Complexes.
J.Mol.Biol., 436, 2024
5V3P
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BU of 5v3p by Molmil
Human A20 OTU domain (I325N) with acetamidylated C103
分子名称: Tumor necrosis factor alpha-induced protein 3
著者Langley, D.B, Christ, D, Grey, S.
登録日2017-03-07
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Denisovan, modern human and mouse TNFAIP3 alleles tune A20 phosphorylation and immunity.
Nat.Immunol., 20, 2019

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