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2LU7
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BU of 2lu7 by Molmil
Solution NMR Structure of Ig like domain (1277-1357) of Obscurin-like protein 1 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8578D
分子名称: Obscurin-like protein 1
著者Pulavarti, S, Eletsky, A, Satyamoorthy, B, Sukumaran, D.K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2012-06-08
公開日2012-08-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of Ig like domain (1277-1357) of Obscurin-like protein 1 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8578D (CASP Target)
To be Published
8SZX
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BU of 8szx by Molmil
Crystal structure of b'-WD40 Lys17Ala mutant
分子名称: Coatomer subunit beta'
著者Dey, D, Hasan, S.S.
登録日2023-05-30
公開日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs.
Nat Commun, 14, 2023
2LV4
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ZirS C-terminal Domain
分子名称: Putative outer membrane or exported protein
著者Prehna, G, Li, Y, Stoynov, N, Okon, M, Vukovic, M, Mcintosh, L.P, Foster, L.J, Finlay, B, Strynadka, N.C.J.
登録日2012-06-28
公開日2012-08-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The zinc regulated antivirulence pathway of salmonella is a multiprotein immunoglobulin adhesion system.
J.Biol.Chem., 287, 2012
6DDT
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BU of 6ddt by Molmil
mouse beta-mannosidase (MANBA)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gytz, H, Liang, J, Liang, Y, Gorelik, A, Illes, K, Nagar, B.
登録日2018-05-10
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of mammalian beta-mannosidase provides insight into beta-mannosidosis and nystagmus.
FEBS J., 286, 2019
2AQS
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BU of 2aqs by Molmil
CU/ZN superoxide dismutase from neisseria meningitidis K91E, K94E double mutant
分子名称: COPPER (I) ION, COPPER (II) ION, Superoxide dismutase [Cu-Zn], ...
著者DiDonato, M, Kassmann, C.J, Bruns, C.K, Cabelli, D.E, Cao, Z, Tabatabai, L.B, Kroll, J.S, Getzoff, E.D.
登録日2005-08-18
公開日2006-10-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献CU/ZN superoxide dismutase from neisseria meningitidis K91E, K94E double mutant
To be Published
3LZL
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BU of 3lzl by Molmil
Crystal Structure Analysis of the as-solated P19 protein from Campylobacter jejuni at 1.45 A at pH 9.0
分子名称: COPPER (II) ION, P19 protein, SULFATE ION
著者Doukov, T.I, Chan, A.C.K, Scofield, M, Ramin, A.B, Tom-Yew, S.A.L, Murphy, M.E.P.
登録日2010-03-01
公開日2010-07-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure and Function of P19, a High-Affinity Iron Transporter of the Human Pathogen Campylobacter jejuni.
J.Mol.Biol., 401, 2010
1R1J
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BU of 1r1j by Molmil
STRUCTURAL ANALYSIS OF NEPRILYSIN WITH VARIOUS SPECIFIC AND POTENT INHIBITORS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE, Neprilysin, ...
著者Oefner, C, Roques, B.P, Fournie-Zaluski, M.C, Dale, G.E.
登録日2003-09-24
公開日2004-09-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural analysis of neprilysin with various specific and potent inhibitors.
Acta Crystallogr.,Sect.D, 60, 2004
2ALV
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BU of 2alv by Molmil
X-ray structural analysis of SARS coronavirus 3CL proteinase in complex with designed anti-viral inhibitors
分子名称: N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE, Replicase polyprotein 1ab
著者Ghosh, A.K, Xi, K, Ratia, K, Santarsiero, B.D, Fu, W, Harcourt, B.H, Rota, P.A, Baker, S.C, Johnson, M.E, Mesecar, A.D.
登録日2005-08-08
公開日2006-08-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors.
J.Med.Chem., 48, 2005
8SDG
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BU of 8sdg by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC25.43
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neutralizing antibody CC25.43 heavy chain, Neutralizing antibody CC25.43 light chain, ...
著者Yuan, M, Wilson, I.A.
登録日2023-04-06
公開日2024-03-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift.
Biorxiv, 2023
1R9P
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BU of 1r9p by Molmil
Solution NMR Structure Of The Haemophilus Influenzae Iron-Sulfur Cluster Assembly Protein U (IscU) with Zinc Bound at the Active Site. Northeast Structural Genomics Consortium Target IR24.
分子名称: NifU-like protein, ZINC ION
著者Ramelot, T.A, Cort, J.R, Xiao, R, Shastry, R, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2003-10-30
公開日2004-11-09
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the iron-sulfur cluster assembly protein U (IscU) with zinc bound at the active site.
J.Mol.Biol., 344, 2004
1R4N
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BU of 1r4n by Molmil
APPBP1-UBA3-NEDD8, an E1-ubiquitin-like protein complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Ubiquitin-like protein NEDD8, ZINC ION, ...
著者Walden, H, Podgorski, M.S, Holton, J.M, Schulman, B.A.
登録日2003-10-07
公開日2003-12-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The structure of the APPBP1-UBA3-NEDD8-ATP complex reveals the basis for selective ubiquitin-like protein activation by an E1.
Mol.Cell, 12, 2003
7OLG
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BU of 7olg by Molmil
EB1 bound to MACF peptide
分子名称: 11MACF, Microtubule-associated protein RP/EB family member 1
著者Almeida, T.B, Barsukov, I.L.
登録日2021-05-20
公開日2022-06-01
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献EB1 bound to MACF peptide
To Be Published
2AQV
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BU of 2aqv by Molmil
Crystal Structure of E. coli Isoaspartyl Dipeptidase mutant Y137F
分子名称: Isoaspartyl dipeptidase, ZINC ION
著者Marti-Arbona, R, Thoden, J.B, Holden, H.M, Raushel, F.M.
登録日2005-08-18
公開日2005-12-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Functional significance of Glu-77 and Tyr-137 within the active site of isoaspartyl dipeptidase.
Bioorg.Chem., 33, 2005
5L33
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BU of 5l33 by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
分子名称: denovo NTF2
著者Oberdorfer, G, Marcos, E, Basanta, B, Chidyausiku, T.M, Sankaran, B, Baker, D.
登録日2016-08-03
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
1RDY
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BU of 1rdy by Molmil
T-STATE STRUCTURE OF THE ARG 243 TO ALA MUTANT OF PIG KIDNEY FRUCTOSE 1,6-BISPHOSPHATASE EXPRESSED IN E. COLI
分子名称: 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, FRUCTOSE 1,6-BISPHOSPHATASE
著者Stec, B, Abraham, R, Giroux, E, Kantrowitz, E.R.
登録日1996-05-17
公開日1997-01-11
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of the active site mutant (Arg-243-->Ala) in the T and R allosteric states of pig kidney fructose-1,6-bisphosphatase expressed in Escherichia coli.
Protein Sci., 5, 1996
3MA5
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BU of 3ma5 by Molmil
Crystal structure of the tetratricopeptide repeat domain protein Q2S6C5_SALRD from Salinibacter ruber. Northeast Structural Genomics Consortium Target SrR115c.
分子名称: Tetratricopeptide repeat domain protein
著者Vorobiev, S, Neely, H, Seetharaman, J, Wang, H, Foote, E.L, Ciccosanti, C, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2010-03-23
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the tetratricopeptide repeat domain protein Q2S6C5_SALRD from Salinibacter ruber.
To be Published
1RDZ
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BU of 1rdz by Molmil
T-STATE STRUCTURE OF THE ARG 243 TO ALA MUTANT OF PIG KIDNEY FRUCTOSE 1,6-BISPHOSPHATASE EXPRESSED IN E. COLI
分子名称: 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, FRUCTOSE 1,6-BISPHOSPHATASE
著者Stec, B, Abraham, R, Giroux, E, Kantrowitz, E.R.
登録日1996-05-17
公開日1997-01-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of the active site mutant (Arg-243-->Ala) in the T and R allosteric states of pig kidney fructose-1,6-bisphosphatase expressed in Escherichia coli.
Protein Sci., 5, 1996
7POT
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BU of 7pot by Molmil
PI3 kinase delta in complex with N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxypyridin-3-yl]benzenesulfonamide
分子名称: N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Rowland, P, Convery, M.
登録日2021-09-09
公開日2021-09-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.391 Å)
主引用文献Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode.
J.Med.Chem., 64, 2021
7POR
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BU of 7por by Molmil
PI3 kinase delta in complex with N-[2-(2-fluoro-4-{[4-(propan-2-yl)piperazin-1-yl]methyl}phenyl)pyridin-4-yl]-2-methoxy-5-(morpholin-4-yl)pyridine-3-sulfonamide
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide
著者Rowland, P, Convery, M.
登録日2021-09-09
公開日2021-09-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode.
J.Med.Chem., 64, 2021
7POS
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BU of 7pos by Molmil
PI3 kinase delta in complex with 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(5-{3-[4-(propan-2-yl)piperazin-1-yl]prop-1-yn-1-yl}pyridin-3-yl)pyridine-3-sulfonamide
分子名称: 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Rowland, P, Convery, M.
登録日2021-09-09
公開日2021-09-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.493 Å)
主引用文献Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode.
J.Med.Chem., 64, 2021
6WLE
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BU of 6wle by Molmil
Crystal structure of the Zeitlupe light-state mimic G46A
分子名称: 1,2-ETHANEDIOL, Adagio protein 1, FLAVIN MONONUCLEOTIDE
著者Zoltowski, B, Green, R.
登録日2020-04-20
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Steric and Electronic Interactions at Gln154 in ZEITLUPE Induce Reorganization of the LOV Domain Dimer Interface.
Biochemistry, 60, 2021
7POP
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BU of 7pop by Molmil
PI3 kinase delta in complex with 5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide
分子名称: 5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Rowland, P, Convery, M.
登録日2021-09-09
公開日2021-09-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode.
J.Med.Chem., 64, 2021
5L9A
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BU of 5l9a by Molmil
L-threonine dehydrogenase from trypanosoma brucei.
分子名称: ACETATE ION, L-threonine 3-dehydrogenase
著者Erskine, P.T, Cooper, J.B, Adjogatse, E, Kelly, J, Wood, S.P.
登録日2016-06-09
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
2ANZ
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BU of 2anz by Molmil
cytochrome c peroxidase in complex with 2,6-diaminopyridine
分子名称: Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-08-11
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
7PVC
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BU of 7pvc by Molmil
The structure of Kbp.K from E. coli with potassium bound.
分子名称: POTASSIUM ION, Potassium binding protein Kbp
著者Smith, B.O.
登録日2021-10-01
公開日2021-10-13
最終更新日2023-10-11
実験手法SOLUTION NMR
主引用文献Tuning the Sensitivity of Genetically Encoded Fluorescent Potassium Indicators through Structure-Guided and Genome Mining Strategies.
ACS Sens, 7, 2022

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