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7QCX
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BU of 7qcx by Molmil
Two-state liquid NMR Structure of a PDZ2 Domain from hPTP1E, apo form
分子名称: Tyrosine-protein phosphatase non-receptor type 13
著者Ashkinadze, D, Kadavath, H, Chi, C, Friedmann, M, Strotz, D, Kumari, P, Minges, M, Cadalbert, R, Koenigl, S, Guentert, P, Voegeli, B, Riek, R.
登録日2021-11-25
公開日2022-09-07
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Atomic resolution protein allostery from the multi-state structure of a PDZ domain.
Nat Commun, 13, 2022
7QCY
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BU of 7qcy by Molmil
Two-state liquid NMR Structure of a PDZ2 Domain from hPTP1E, complexed with RA-GEF2 peptide
分子名称: Tyrosine-protein phosphatase non-receptor type 13
著者Ashkinadze, D, Kadavath, H, Chi, C, Friedmann, M, Strotz, D, Kumari, P, Minges, M, Cadalbert, R, Koenigl, S, Guentert, P, Voegeli, B, Riek, R.
登録日2021-11-25
公開日2022-09-07
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Atomic resolution protein allostery from the multi-state structure of a PDZ domain.
Nat Commun, 13, 2022
7ZJQ
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BU of 7zjq by Molmil
Human TEAD3 in complex with 1-Cyclopentyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
分子名称: 1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxylic acid, Transcriptional enhancer factor TEF-5
著者Musil, D, Sousa, C.M.
登録日2022-04-11
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 .
J.Med.Chem., 65, 2022
2PY1
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BU of 2py1 by Molmil
Solution structure of human liver fatty acid binding protein
分子名称: Fatty acid-binding protein, liver
著者Long, D, Yang, D.
登録日2007-05-15
公開日2007-06-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Rapid data collection for protein structure determination by NMR spectroscopy.
J.Am.Chem.Soc., 129, 2007
6G5B
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BU of 6g5b by Molmil
Heme-carbene complex in myoglobin H64V/V68A containing an N-methylhistidine as the proximal ligand, 1.6 angstrom resolution
分子名称: ETHYL ACETATE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Tinzl, M, Hayashi, T, Mori, T, Hilvert, D.
登録日2018-03-29
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme
Nat Catal, 1, 2018
6C98
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BU of 6c98 by Molmil
Crystal structure of FcRn bound to UCB-84
分子名称: 1-[7-(3-fluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one, Beta-2-microglobulin, CYSTEINE, ...
著者Fox III, D, Lukacs, C.M.
登録日2018-01-25
公開日2018-05-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
PLoS Biol., 16, 2018
3LEO
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BU of 3leo by Molmil
Structure of human Leukotriene C4 synthase mutant R31Q in complex with glutathione
分子名称: DODECYL-BETA-D-MALTOSIDE, GLUTATHIONE, GLYCEROL, ...
著者Niegowski, D, Martinez-Molina, D, Rinaldo-Matthis, A, Nordlund, P, Haeggstrom, J.
登録日2010-01-15
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Arginine 104 is a key catalytic residue in leukotriene C4 synthase.
J.Biol.Chem., 285, 2010
7TLY
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BU of 7tly by Molmil
SARS-CoV-2 S B.1.1.529 Omicron variant (RBD + S309 Local Refinement)
分子名称: S309 Fab heavy chain, S309 Fab light chain, Spike glycoprotein, ...
著者McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-01-19
公開日2022-02-02
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of SARS-CoV-2 Omicron immune evasion and receptor engagement.
Science, 375, 2022
9DAK
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BU of 9dak by Molmil
Merbecovirus PnNL2018B Spike glycoprotein RBD bound to the P. Nathusii ACE2
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Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-08-22
公開日2025-02-19
最終更新日2025-04-02
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Multiple independent acquisitions of ACE2 usage in MERS-related coronaviruses.
Cell, 188, 2025
7TN0
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BU of 7tn0 by Molmil
SARS-CoV-2 Omicron RBD in complex with human ACE2 and S304 Fab and S309 Fab
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者McCallum, M, Czudnochowski, N, Nix, J.C, Croll, T.I, SSGCID, Dillen, J.R, Snell, G, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-01-20
公開日2022-02-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural basis of SARS-CoV-2 Omicron immune evasion and receptor engagement.
Science, 375, 2022
7TM0
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BU of 7tm0 by Molmil
SARS-CoV-2 S B.1.1.529 Omicron variant + S309 + 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, S2L20 Fab heavy chain, ...
著者McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-01-19
公開日2022-02-02
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis of SARS-CoV-2 Omicron immune evasion and receptor engagement.
Science, 375, 2022
3IFP
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BU of 3ifp by Molmil
X-ray structure of amyloid beta peptide:antibody (Abeta1-7:12B4) complex
分子名称: 12B4 FAB antibody heavy chain, 12B4 FAB antibody light chain, Amyloid beta A4 protein
著者Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D.
登録日2009-07-24
公開日2009-11-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease.
J.Biol.Chem., 285, 2010
8QPR
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BU of 8qpr by Molmil
SARS-CoV-2 S protein bound to human neutralising antibody UZGENT_G5
分子名称: 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, IgG heavy chain - FAB, ...
著者Remaut, H, Reiter, D, Vandenkerckhove, L, Acar, D.D, Witkowski, W, Gerlo, S.
登録日2023-10-03
公開日2024-01-31
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Integrating artificial intelligence-based epitope prediction in a SARS-CoV-2 antibody discovery pipeline: caution is warranted.
Ebiomedicine, 100, 2024
7TLZ
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BU of 7tlz by Molmil
SARS-CoV-2 S NTD B.1.1.529 Omicron variant + S309 Local Refinement
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Fab heavy chain, S2L20 Fab light chain, ...
著者McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-01-19
公開日2022-02-02
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of SARS-CoV-2 Omicron immune evasion and receptor engagement.
Science, 375, 2022
8QQ0
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BU of 8qq0 by Molmil
SARS-CoV-2 S protein bound to neutralising antibody UZGENT_A3
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Remaut, H, Reiter, D, Vandenkerckhove, L, Acar, D.D, Witkowski, W, Gerlo, S.
登録日2023-10-03
公開日2024-01-31
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Integrating artificial intelligence-based epitope prediction in a SARS-CoV-2 antibody discovery pipeline: caution is warranted.
Ebiomedicine, 100, 2024
3AAT
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BU of 3aat by Molmil
ACTIVITY AND STRUCTURE OF THE ACTIVE-SITE MUTANTS R386Y AND R386F OF ESCHERICHIA COLI ASPARTATE AMINOTRANSFERASE
分子名称: ASPARTATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Danishefsky, A.T, Ringe, D, Petsko, G.A.
登録日1990-12-06
公開日1992-01-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Activity and structure of the active-site mutants R386Y and R386F of Escherichia coli aspartate aminotransferase.
Biochemistry, 30, 1991
1WKP
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BU of 1wkp by Molmil
Flowering locus t (ft) from arabidopsis thaliana
分子名称: FLOWERING LOCUS T protein, SULFATE ION
著者Miller, D, Banfield, M.J, Winter, V.J, Brady, R.L.
登録日2004-06-01
公開日2005-06-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A divergent external loop confers antagonistic activity on floral regulators FT and TFL1.
Embo J., 25, 2006
6SHN
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BU of 6shn by Molmil
Escherichia coli AGPase in complex with FBP. Symmetry C1
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase
著者Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E.
登録日2019-08-07
公開日2020-02-05
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM.
Curr Res Struct Biol, 2, 2020
2QA3
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BU of 2qa3 by Molmil
Structural Studies Reveal the Inactivation of E. coli L-aspartate aminotransferase by (S)-4,5-amino-dihydro-2-thiophenecarboxylic acid (SADTA) via two mechanisms (at pH6.5)
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ...
著者Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D.
登録日2007-06-14
公開日2007-12-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Inactivation of Escherichia coli L-aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acid reveals "a tale of two mechanisms".
Biochemistry, 46, 2007
9DNE
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BU of 9dne by Molmil
Pseudosymmetric protein nanocage GI9-F7 (local refinement)
分子名称: Pseudosymmetric protein nanocage GI9-F7 A chain, Pseudosymmetric protein nanocage GI9-F7 B chain, Pseudosymmetric protein nanocage GI9-F7 C chain
著者Park, Y.J, Dowling, Q.M, King, N.P, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2024-09-17
公開日2024-12-18
最終更新日2025-02-26
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Hierarchical design of pseudosymmetric protein nanocages.
Nature, 638, 2025
3IFL
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BU of 3ifl by Molmil
X-ray structure of amyloid beta peptide:antibody (Abeta1-7:12A11) complex
分子名称: 12A11 FAB antibody heavy chain, 12A11 FAB antibody light chain, Amyloid beta A4 protein
著者Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D.
登録日2009-07-24
公開日2009-11-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease.
J.Biol.Chem., 285, 2010
7QLB
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BU of 7qlb by Molmil
SMYD3 in complex with fragment FL06268
分子名称: 1-methylimidazole-4-sulfonamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Lund, B.A, Cederfelt, D, Dobritzsch, D.
登録日2021-12-20
公開日2023-03-29
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
7QNR
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BU of 7qnr by Molmil
SMYD3 in complex with fragment FL01791
分子名称: 3-propan-2-yl-1,2,4-thiadiazol-5-amine, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Lund, B.A, Cederfelt, D, Dobritzsch, D.
登録日2021-12-22
公開日2023-04-05
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
7QNU
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BU of 7qnu by Molmil
SMYD3 in complex with fragment FL08619
分子名称: BENZOYL-FORMIC ACID, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Lund, B.A, Cederfelt, D, Dobritzsch, D.
登録日2021-12-22
公開日2023-04-05
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
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

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