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3HV4
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BU of 3hv4 by Molmil
Human p38 MAP Kinase in Complex with RL51
Descriptor: 1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ...
Authors:Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
Deposit date:2009-06-15
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Displacement assay for the detection of stabilizers of inactive kinase conformations.
J.Med.Chem., 53, 2010
3QXR
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BU of 3qxr by Molmil
Crystal structure of the brominated CKIT-1 proto-oncogene promoter quadruplex DNA
Descriptor: 5'-D(*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*CP*(BRU)P*GP*GP*GP*AP*GP*GP*AP*GP*GP*G)-3', MAGNESIUM ION, POTASSIUM ION
Authors:Wei, D, Parkinson, G.N, Neidle, S.
Deposit date:2011-03-02
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of a c-kit promoter quadruplex reveals the structural role of metal ions and water molecules in maintaining loop conformation.
Nucleic Acids Res., 40, 2012
2XCK
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BU of 2xck by Molmil
Crystal structure of PDK1 in complex with a pyrazoloquinazoline inhibitor
Descriptor: 1-METHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-N-[(2-METHYLPYRIDIN-4-YL)METHYL]-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, GLYCEROL, ...
Authors:Angiolini, M, Banfi, P, Casale, E, Casuscelli, F, Fiorelli, C, Saccardo, M.B, Silvagni, M, Zuccotto, F.
Deposit date:2010-04-23
Release date:2010-07-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Optimization of Potent Pdk1 Inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
8I97
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BU of 8i97 by Molmil
Structure of Apo-C3aR-Go complex (Glacios)
Descriptor: Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C.
Deposit date:2023-02-06
Release date:2023-10-18
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
7W8K
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BU of 7w8k by Molmil
Solution structures of a disulfide-rich peptide that can bind mdm2
Descriptor: drp1
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
2XMT
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BU of 2xmt by Molmil
Copper chaperone Atx1 from Synechocystis PCC6803 (Cu1 form)
Descriptor: COPPER (I) ION, SSR2857 PROTEIN
Authors:Badarau, A, Firbank, S.J, McCarthy, A.A, Banfield, M.J, Dennison, C.
Deposit date:2010-07-29
Release date:2010-08-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Visualizing the Metal-Binding Versatility of Copper Trafficking Sites .
Biochemistry, 49, 2010
8E8C
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BU of 8e8c by Molmil
Human DNA polymerase eta-DNA-rU-ended primer ternary mismatch complex:reaction with 10 mM Mn2+ for 30s
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA polymerase eta, ...
Authors:Chang, C, Gao, Y.
Deposit date:2022-08-25
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase eta and reduces DNA synthesis fidelity.
J.Biol.Chem., 299, 2023
7W8R
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BU of 7w8r by Molmil
Solution structures of a disulfide-rich peptide that can bind mdm2
Descriptor: drp2-b
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
5DRP
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BU of 5drp by Molmil
Structure of the AaLpxC/LPC-023 Complex
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, N~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-isoleucinamide, ...
Authors:Najeeb, J, Lee, C.-J, Zhou, P.
Deposit date:2015-09-16
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.889 Å)
Cite:Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
2XFR
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BU of 2xfr by Molmil
Crystal structure of barley beta-amylase at atomic resolution
Descriptor: 1,2-ETHANEDIOL, BETA-AMYLASE
Authors:Rejzek, M, Stevenson, C.E.M, Southard, A.M, Stanley, D, Denyer, K, Smith, A.M, Naldrett, M.J, Lawson, D.M, Field, R.A.
Deposit date:2010-05-28
Release date:2010-12-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Chemical Genetics and Cereal Starch Metabolism: Structural Basis of the Non-Covalent and Covalent Inhibition of Barley Beta-Amylase.
Mol.Biosyst., 7, 2011
8E8E
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BU of 8e8e by Molmil
Human DNA polymerase eta-DNA-rU-ended primer ternary mismatch complex:reaction with 10 mM Mn2+ for 90s
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DIPHOSPHATE, DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Chang, C, Gao, Y.
Deposit date:2022-08-25
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase eta and reduces DNA synthesis fidelity.
J.Biol.Chem., 299, 2023
5DSK
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BU of 5dsk by Molmil
Structure of CO2 released holo-form of human carbonic anhydrase II with 3 min warming
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2015-09-17
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
8I9S
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BU of 8i9s by Molmil
Structure of Apo-C3aR-Go complex (Titan)
Descriptor: Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C.
Deposit date:2023-02-07
Release date:2023-10-18
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
8IA2
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BU of 8ia2 by Molmil
Structure of C5a bound human C5aR1 in complex with Go (Composite map)
Descriptor: Antibody fragment - ScFv16, C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, ...
Authors:Yadav, M.K, Yadav, R, Maharana, J, Banerjee, R, Shukla, A.K, Gati, C.
Deposit date:2023-02-07
Release date:2023-10-18
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
5DSQ
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BU of 5dsq by Molmil
Structure of CO2 released apo-form of human carbonic anhydrase II with 3 min warming
Descriptor: Carbonic anhydrase 2, GLYCEROL
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2015-09-17
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
9BG7
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BU of 9bg7 by Molmil
Tri-complex of Compound-6, KRAS G12V, and CypA
Descriptor: Isoform 2B of GTPase KRas, MAGNESIUM ION, N-[(2R)-1-{[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]amino}-3-methyl-1-oxobutan-2-yl]-3-methoxy-N-methylazetidine-1-carboxamide (non-preferred name), ...
Authors:Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
Deposit date:2024-04-18
Release date:2025-03-19
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Daraxonrasib (RMC-6236), a Potent and Orally Bioavailable RAS(ON) Multi-selective, Noncovalent Tri-complex Inhibitor for the Treatment of Patients with Multiple RAS-Addicted Cancers.
J.Med.Chem., 68, 2025
2J9I
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BU of 2j9i by Molmil
Lengsin is a survivor of an ancient family of class I glutamine synthetases in eukaryotes that has undergone evolutionary re- engineering for a tissue-specific role in the vertebrate eye lens.
Descriptor: GLUTAMATE-AMMONIA LIGASE DOMAIN-CONTAINING PROTEIN 1
Authors:Wyatt, K, White, H.E, Wang, L, Bateman, O.A, Slingsby, C, Orlova, E.V, Wistow, G.
Deposit date:2006-11-09
Release date:2006-12-13
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (17 Å)
Cite:Lengsin is a Survivor of an Ancient Family of Class I Glutamine Synthetases Re-Engineered by Evolution for a Role in the Vertebrate Lens.
Structure, 14, 2006
9G0P
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BU of 9g0p by Molmil
Xenopus laevis undecorated microtubule - 14 protofilament, 3-start helix
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Troman, L.A, Moores, C.A.
Deposit date:2024-07-08
Release date:2025-01-15
Last modified:2025-02-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Mechanistic basis of temperature adaptation in microtubule dynamics across frog species.
Curr.Biol., 35, 2025
8E89
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BU of 8e89 by Molmil
Human DNA polymerase eta-DNA-rU-ended primer-binary complex
Descriptor: DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA polymerase eta, DNA/RNA (5'-D(*AP*GP*CP*GP*TP*CP*A)-R(P*U)-3')
Authors:Chang, C, Gao, Y.
Deposit date:2022-08-25
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase eta and reduces DNA synthesis fidelity.
J.Biol.Chem., 299, 2023
8E8H
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BU of 8e8h by Molmil
Human DNA polymerase eta-DNA-rU-ended primer ternary mismatch complex:reaction with 10 mM Mn2+ for 300s
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DIPHOSPHATE, DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Chang, C, Gao, Y.
Deposit date:2022-08-25
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase eta and reduces DNA synthesis fidelity.
J.Biol.Chem., 299, 2023
1BFV
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BU of 1bfv by Molmil
MONOCLONAL ANTIBODY FRAGMENT FV4155 FROM E. COLI
Descriptor: ESTRIOL 3-(B-D-GLUCURONIDE), FV4155, ZINC ION
Authors:Trinh, C.H, Phillips, S.E.V.
Deposit date:1997-05-27
Release date:1997-12-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Antibody fragment Fv4155 bound to two closely related steroid hormones: the structural basis of fine specificity.
Structure, 5, 1997
6I82
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BU of 6i82 by Molmil
Crystal structure of partially phosphorylated RET V804M tyrosine kinase domain complexed with PDD00018412
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ...
Authors:Burschowsky, D, Seewooruthun, C, Bayliss, R, Carr, M.D, Echalier, A, Jordan, A.M.
Deposit date:2018-11-19
Release date:2020-03-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery and Optimization of wt-RET/KDR-Selective Inhibitors of RETV804MKinase.
Acs Med.Chem.Lett., 11, 2020
8E8D
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BU of 8e8d by Molmil
Human DNA polymerase eta-DNA-rU-ended primer ternary mismatch complex:reaction with 10 mM Mn2+ for 60s
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA polymerase eta, ...
Authors:Chang, C, Gao, Y.
Deposit date:2022-08-25
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase eta and reduces DNA synthesis fidelity.
J.Biol.Chem., 299, 2023
1DRF
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BU of 1drf by Molmil
CRYSTAL STRUCTURE OF HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE
Descriptor: DIHYDROFOLATE REDUCTASE, FOLIC ACID, SULFATE ION
Authors:Oefner, C, D'Arcy, A, Winkler, F.K.
Deposit date:1990-08-09
Release date:1992-01-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human dihydrofolate reductase complexed with folate.
Eur.J.Biochem., 174, 1988
9G0O
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BU of 9g0o by Molmil
Xenopus borealis undecorated microtubule - 14 protofilament, 3-start helix
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Troman, L.A, Moores, C.A.
Deposit date:2024-07-08
Release date:2025-01-15
Last modified:2025-02-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mechanistic basis of temperature adaptation in microtubule dynamics across frog species.
Curr.Biol., 35, 2025

236963

數據於2025-06-04公開中

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