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3OG7
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BU of 3og7 by Molmil
B-Raf Kinase V600E oncogenic mutant in complex with PLX4032
Descriptor: AKAP9-BRAF fusion protein, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide
Authors:Zhang, Y, Zhang, K.Y, Zhang, C.
Deposit date:2010-08-16
Release date:2010-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Clinical efficacy of a RAF inhibitor needs broad target blockade in BRAF-mutant melanoma.
Nature, 467, 2010
4KLX
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BU of 4klx by Molmil
Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in an open conformation.
Descriptor: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Dihydrofolate reductase
Authors:Dias, M.V.B, Tyrakis, P, Blundell, T.L.
Deposit date:2013-05-07
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs.
Structure, 22, 2014
4BFH
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BU of 4bfh by Molmil
Crystal structure of alpha-amylase inhibitor wrightide R1 (wR1) peptide from Wrightia religiosa
Descriptor: WRIGHTIDE R1
Authors:Yap, L.J, Nguyen, P.Q.T, Tam, J.P, Lescar, J.
Deposit date:2013-03-19
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery and Characterization of Pseudocyclic Cystine-Knot Alpha-Amylase Inhibitors with High Resistance to Heat and Proteolytic Degradation.
FEBS J., 281, 2014
4KNE
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BU of 4kne by Molmil
Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in complex with cycloguanil
Descriptor: 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Dihydrofolate reductase
Authors:Dias, M.V.B, Tyrakis, P, Blundell, T.L.
Deposit date:2013-05-09
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs.
Structure, 22, 2014
4KN4
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BU of 4kn4 by Molmil
X-ray crystal structure of the Escherichia coli RNA polymerase in complex with Benzoxazinorifamycin-2b
Descriptor: Benzoxazinorifamycin-2b, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Murakami, K.S.
Deposit date:2013-05-08
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.965 Å)
Cite:X-ray Crystal Structures of the Escherichia coli RNA Polymerase in Complex with Benzoxazinorifamycins.
J.Med.Chem., 56, 2013
4KN7
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BU of 4kn7 by Molmil
X-ray crystal structure of the Escherichia coli RNA polymerase in complex with Benzoxazinorifamycin-2c
Descriptor: Benzoxazinorifamycin-2c, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Murakami, K.S.
Deposit date:2013-05-08
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.686 Å)
Cite:X-ray Crystal Structures of the Escherichia coli RNA Polymerase in Complex with Benzoxazinorifamycins.
J.Med.Chem., 56, 2013
6Q02
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BU of 6q02 by Molmil
Polymerase Eta-catalyzed insertion of the mismatched A opposite template cytarabine (AraC) residue
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA Primer Strand, DNA polymerase eta, ...
Authors:Rechkoblit, O, Aggarwal, A.K.
Deposit date:2019-08-01
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural insights into mutagenicity of anticancer nucleoside analog cytarabine during replication by DNA polymerase eta.
Sci Rep, 9, 2019
6PZ3
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BU of 6pz3 by Molmil
Polymerase Eta-catalyzed insertion of correct G opposite template cytarabine (AraC) residue
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA Primer strand, DNA polymerase eta, ...
Authors:Rechkoblit, O, Aggarwal, A.K.
Deposit date:2019-07-31
Release date:2019-11-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:Structural insights into mutagenicity of anticancer nucleoside analog cytarabine during replication by DNA polymerase eta.
Sci Rep, 9, 2019
7L6V
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BU of 7l6v by Molmil
Crystal structure of BoNT/A-LC-JPU-A5-JPU-C1-JPU-H7-JPU-D12-ciA-F12
Descriptor: 1,2-ETHANEDIOL, BoNT/A, JPU-A5, ...
Authors:Lam, K, Jin, R.
Deposit date:2020-12-24
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Probing the structure and function of the protease domain of botulinum neurotoxins using single-domain antibodies.
Plos Pathog., 18, 2022
6H70
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BU of 6h70 by Molmil
GI.1 human norovirus protruding domain in complex with Nano-62 and 2-fucosyllactose (2FL)
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1, Nanobody (VHH) Nano-62, ...
Authors:Kilic, T, Hansman, G.S.
Deposit date:2018-07-30
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural Basis of Nanobodies Targeting the Prototype Norovirus.
J. Virol., 93, 2019
6H6Y
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BU of 6h6y by Molmil
GI.1 human norovirus protruding domain in complex with Nano-7
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Capsid protein VP1, ...
Authors:Kilic, T, Ruoff, K, Hansman, G.S.
Deposit date:2018-07-30
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural Basis of Nanobodies Targeting the Prototype Norovirus.
J. Virol., 93, 2019
6H6Z
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BU of 6h6z by Molmil
GI.1 human norovirus protruding domain in complex with Nano-62
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1, Nanobody (VHH) Nano-62, ...
Authors:Kilic, T, Hansman, G.S.
Deposit date:2018-07-30
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.085 Å)
Cite:Structural Basis of Nanobodies Targeting the Prototype Norovirus.
J. Virol., 93, 2019
6H72
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BU of 6h72 by Molmil
GI.1 human norovirus protruding domain in complex with Nano-94 and 2-fucosyllactose (2FL)
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1, Nanobody (VHH) Nano-94, ...
Authors:Kilic, T, Hansman, G.S.
Deposit date:2018-07-30
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of Nanobodies Targeting the Prototype Norovirus.
J. Virol., 93, 2019
6H71
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BU of 6h71 by Molmil
GI.1 human norovirus protruding domain in complex with Nano-94
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1, Nanobody (VHH) Nano-94
Authors:Kilic, T, Hansman, G.S.
Deposit date:2018-07-30
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.313 Å)
Cite:Structural Basis of Nanobodies Targeting the Prototype Norovirus.
J. Virol., 93, 2019
8VRB
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BU of 8vrb by Molmil
Structure of a synthetic antibody in complex with a class I MHC presenting a hapten-peptide conjugate
Descriptor: AMG 510 (bound form), Beta-2-microglobulin, GTPase KRas, ...
Authors:Maso, L, Bang, I, Koide, S.
Deposit date:2024-01-20
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Molecular basis for antibody recognition of multiple drug-peptide/MHC complexes.
Proc.Natl.Acad.Sci.USA, 121, 2024
8VR9
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BU of 8vr9 by Molmil
Structure of a synthetic antibody in complex with a class I MHC presenting a hapten-peptide conjugate
Descriptor: AMG 510 (bound form), Beta-2-microglobulin, GTPase KRas, ...
Authors:Maso, L, Bang, I, Koide, S.
Deposit date:2024-01-20
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Molecular basis for antibody recognition of multiple drug-peptide/MHC complexes.
Proc.Natl.Acad.Sci.USA, 121, 2024
7M1H
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BU of 7m1h by Molmil
Crystal structure of LC/A-JPU-C10-JPU-D12-JPU-B8-JPU-G3-ciA-F12-ciA-D12
Descriptor: Botulinum neurotoxin A light chain, JPU-B8, JPU-C10, ...
Authors:Lam, K, Jin, R.
Deposit date:2021-03-13
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Probing the structure and function of the protease domain of botulinum neurotoxins using single-domain antibodies.
Plos Pathog., 18, 2022
8WC7
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BU of 8wc7 by Molmil
Cryo-EM structure of the ZH8667-bound mTAAR1-Gs complex
Descriptor: 2-[4-(3-fluorophenyl)phenyl]ethanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
Deposit date:2023-09-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WCA
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BU of 8wca by Molmil
Cryo-EM structure of the PEA-bound hTAAR1-Gs complex
Descriptor: 2-PHENYLETHYLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
Deposit date:2023-09-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WCB
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BU of 8wcb by Molmil
Cryo-EM structure of the CHA-bound mTAAR1-Gq complex
Descriptor: CYCLOHEXYLAMMONIUM ION, Engineered G-alpha-q subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
Deposit date:2023-09-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WC8
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BU of 8wc8 by Molmil
Cryo-EM structure of the ZH8651-bound hTAAR1-Gs complex
Descriptor: 2-(4-bromophenyl)ethanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
Deposit date:2023-09-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WC3
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BU of 8wc3 by Molmil
Cryo-EM structure of the SEP363856-bound mTAAR1-Gs complex
Descriptor: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
Deposit date:2023-09-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WC5
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BU of 8wc5 by Molmil
Cryo-EM structure of the TMA-bound mTAAR1-Gs complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
Deposit date:2023-09-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WC4
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BU of 8wc4 by Molmil
Cryo-EM structure of the ZH8651-bound mTAAR1-Gs complex
Descriptor: 2-(4-bromophenyl)ethanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
Deposit date:2023-09-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WC9
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BU of 8wc9 by Molmil
Cryo-EM structure of the ZH8651-bound mTAAR1-Gq complex
Descriptor: 2-(4-bromophenyl)ethanamine, Engineered G-alpha-q subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
Deposit date:2023-09-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023

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數據於2024-09-25公開中

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