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8UK9
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BU of 8uk9 by Molmil
Structure of T4 Bacteriophage clamp loader mutant D110C bound to the T4 clamp, primer-template DNA, and ATP analog
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, DNA primer, ...
著者Marcus, K, Ghaffari-Kashani, S, Gee, C.L.
登録日2023-10-12
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Autoinhibition of a clamp-loader ATPase revealed by deep mutagenesis and cryo-EM.
Nat.Struct.Mol.Biol., 31, 2024
6P9R
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BU of 6p9r by Molmil
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 6
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Ma, X, Shia, S, Ornelas, E.
登録日2019-06-10
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
8UH7
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BU of 8uh7 by Molmil
Structure of T4 Bacteriophage clamp loader bound to the T4 clamp, primer-template DNA, and ATP analog
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Primer DNA strand, ...
著者Gee, C.L, Marcus, K, Kelch, B.A, Makino, D.L.
登録日2023-10-07
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.628 Å)
主引用文献Autoinhibition of a clamp-loader ATPase revealed by deep mutagenesis and cryo-EM.
Nat.Struct.Mol.Biol., 31, 2024
8FXB
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BU of 8fxb by Molmil
SARS-CoV-2 XBB.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Heavy chain, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2023-01-24
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
6P9T
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BU of 6p9t by Molmil
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 8
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Ma, X, Shia, S, Ornelas, E.
登録日2019-06-10
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
7NUS
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BU of 7nus by Molmil
X-RAY STRUCTURE OF HDM2/CMR19 AT 1.45A: Discovery, X-ray structure and CPP-conjugation enabled uptake of p53/MDM2 macrocyclic peptide inhibitors
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, SULFATE ION, ...
著者Kallen, J.
登録日2021-03-13
公開日2021-09-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery, X-ray structure and CPP-conjugation enabled uptake of p53/MDM2 macrocyclic peptide inhibitors.
Rsc Chem Biol, 2, 2021
8FXC
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BU of 8fxc by Molmil
SARS-CoV-2 BQ.1.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Heavy chain, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2023-01-24
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
2E2X
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BU of 2e2x by Molmil
Sec14 Homology Module of Neurofibromin in complex with phosphatitylethanolamine
分子名称: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, Neurofibromin, PYROPHOSPHATE 2-
著者D'Angelo, I, Welti, S, Scheffzek, K.
登録日2006-11-18
公開日2007-10-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The sec14 homology module of neurofibromin binds cellular glycerophospholipids: mass spectrometry and structure of a lipid complex
J.Mol.Biol., 366, 2007
6NSH
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BU of 6nsh by Molmil
Modified ASL proline bound to Thermus thermophilus 70S (near-cognate)
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Hoffer, E.D, Maehigashi, T, Subaramanian, S, Hong, S, Dunham, C.M.
登録日2019-01-24
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.397 Å)
主引用文献Structural insights into mRNA reading frame regulation by tRNA modification and slippery codon-anticodon pairing.
Elife, 9, 2020
8FAH
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BU of 8fah by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with SARS-CoV-2 reactive human antibody CR3022
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 Fab heavy chain, CR3022 Fab light chain, ...
著者Sankhala, R.S, Jensen, J.L, Joyce, M.G.
登録日2022-11-26
公開日2023-12-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (4.22 Å)
主引用文献Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain.
Structure, 32, 2024
6O3M
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BU of 6o3m by Molmil
Unmodified tRNA(Pro) bound to Thermus thermophilus 70S (cognate)
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Hoffer, E.D, Subaramanian, S, Hong, S, Maehigashi, T, Dunham, C.M.
登録日2019-02-26
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.97 Å)
主引用文献Structural insights into mRNA reading frame regulation by tRNA modification and slippery codon-anticodon pairing.
Elife, 9, 2020
1S1A
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BU of 1s1a by Molmil
Pterocarpus angolensis seed lectin (PAL) with one binding site free and one binding site containing the disaccharide Man(a1-3)ManMe
分子名称: CALCIUM ION, Lectin, MANGANESE (II) ION, ...
著者Buts, L, Imberty, A, Wyns, L, Beeckmans, S, Loris, R.
登録日2004-01-06
公開日2005-01-18
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献

6FIB
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BU of 6fib by Molmil
Structure of human 4-1BB ligand
分子名称: Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor ligand superfamily member 9,4-1BBL -CH/CL fusion, Tumor necrosis factor ligand superfamily member 9,Uncharacterized protein
著者Joseph, C, Claus, C, Ferrara, C, von Hirschheydt, T, Prince, C, Funk, D, Klein, C, Benz, J.
登録日2018-01-17
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Tumor-targeted 4-1BB agonists for combination with T cell bispecific antibodies as off-the-shelf therapy.
Sci Transl Med, 11, 2019
1S26
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BU of 1s26 by Molmil
Structure of Anthrax Edema Factor-Calmodulin-alpha,beta-methyleneadenosine 5'-triphosphate Complex Reveals an Alternative Mode of ATP Binding to the Catalytic Site
分子名称: CALCIUM ION, Calmodulin, Calmodulin-sensitive adenylate cyclase, ...
著者Shen, Y, Zhukovskaya, N.L, Bohm, A, Tang, W.-J.
登録日2004-01-08
公開日2004-04-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of anthrax edema factor-calmodulin-adenosine-5'-(alpha,beta-methylene)-triphosphate complex reveals an alternative mode of ATP binding to the catalytic site
Biochem.Biophys.Res.Commun., 317, 2004
6OSI
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BU of 6osi by Molmil
Unmodified tRNA(Pro) bound to Thermus thermophilus 70S (near cognate)
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Hoffer, E.D, Subaramanian, S, Hong, S, Maehigashi, T, Dunham, C.M.
登録日2019-05-01
公開日2020-10-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (4.14 Å)
主引用文献Structural insights into mRNA reading frame regulation by tRNA modification and slippery codon-anticodon pairing.
Elife, 9, 2020
5ITD
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BU of 5itd by Molmil
Crystal structure of PI3K alpha with PI3K delta inhibitor
分子名称: 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Knapp, M.S, Elling, R.A.
登録日2016-03-16
公開日2016-09-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors.
Acs Med.Chem.Lett., 7, 2016
6OD1
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BU of 6od1 by Molmil
IraD-bound to RssB D58P variant
分子名称: Anti-adapter protein IraD, Regulator of RpoS
著者Deaconescu, A.M, Dorich, V.
登録日2019-03-25
公開日2019-04-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for inhibition of a response regulator of sigmaSstability by a ClpXP antiadaptor.
Genes Dev., 33, 2019
6TUL
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BU of 6tul by Molmil
Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021177
分子名称: D-MALATE, Fab C0021177 heavy chain (IgG1), Fab C0021177 light chain (IgG1), ...
著者Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
登録日2020-01-07
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
6QES
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BU of 6qes by Molmil
[1-40]Gga-AvBD11
分子名称: Gallinacin-11
著者Meudal, H, Loth, K, Delmas, A.F, Landon, C.
登録日2019-01-08
公開日2019-12-18
最終更新日2020-01-15
実験手法SOLUTION NMR
主引用文献Structure, function, and evolution ofGga-AvBD11, the archetype of the structural avian-double-beta-defensin family.
Proc.Natl.Acad.Sci.USA, 117, 2020
3GFW
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BU of 3gfw by Molmil
Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrolo-pyridin ligand
分子名称: 1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK
著者Filippakopoulos, P, Soundararajan, M, Choi, H, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Grey, N, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-02-27
公開日2009-03-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nat.Chem.Biol., 6, 2010
3TZ2
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BU of 3tz2 by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/phenylbutyrate complex
分子名称: 4-PHENYL-BUTANOIC ACID, [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial
著者Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T.
登録日2011-09-26
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
3TZ5
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BU of 3tz5 by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/phenylbutyrate complex with ADP
分子名称: 4-PHENYL-BUTANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T.
登録日2011-09-27
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
3TZ0
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BU of 3tz0 by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/S-alpha-chloroisocaproate complex
分子名称: (2S)-2-chloro-4-methylpentanoic acid, [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial
著者Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T.
登録日2011-09-26
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
3TZ4
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BU of 3tz4 by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/S-alpha-chloroisocaproate complex with ADP
分子名称: (2S)-2-chloro-4-methylpentanoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T.
登録日2011-09-27
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
3H9F
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BU of 3h9f by Molmil
Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrimido-diazepin ligand
分子名称: 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin -6(7H)-one, Dual specificity protein kinase TTK, MAGNESIUM ION
著者Filippakopoulos, P, Soundararajan, M, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, Yue, W, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Kwiatkowski, N, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-04-30
公開日2009-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nat.Chem.Biol., 6, 2010

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