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2OC7
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BU of 2oc7 by Molmil
Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696
Descriptor: BETA-MERCAPTOETHANOL, Hepatitis C Virus, TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE, ...
Authors:Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
Deposit date:2006-12-20
Release date:2007-07-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
2OC8
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BU of 2oc8 by Molmil
Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH503034
Descriptor: BETA-MERCAPTOETHANOL, Hepatitis C virus, ZINC ION, ...
Authors:Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R.S, Arasappan, A, Bennett, F, Bogen, S.L, Chen, K, Jao, E, Liu, Y.T, Lovey, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
Deposit date:2006-12-20
Release date:2007-07-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
7VV0
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BU of 7vv0 by Molmil
Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with PAMP-12, local
Descriptor: CHOLESTEROL, Mas-related G-protein coupled receptor member X2, peptide from Pro-adrenomedullin
Authors:Li, Y, Yang, F.
Deposit date:2021-11-04
Release date:2021-12-01
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
7VUZ
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BU of 7vuz by Molmil
Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with PAMP-12, state2
Descriptor: CHOLESTEROL, 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:Li, Y, Yang, F.
Deposit date:2021-11-04
Release date:2021-12-01
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
7VV4
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BU of 7vv4 by Molmil
Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with linear cortistatin-14, local
Descriptor: CHOLESTEROL, Mas-related G-protein coupled receptor member X2, circular cortistatin-14
Authors:Li, Y, Yang, F.
Deposit date:2021-11-04
Release date:2021-12-01
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
7VV6
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BU of 7vv6 by Molmil
Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with C48/80 (local)
Descriptor: 2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{N}-methyl-ethanamine, CHOLESTEROL, Mas-related G-protein coupled receptor member X2
Authors:Li, Y, Yang, F.
Deposit date:2021-11-04
Release date:2021-12-01
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
7VDM
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BU of 7vdm by Molmil
Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with substance P
Descriptor: CHOLESTEROL, 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:Li, Y, Yang, F.
Deposit date:2021-09-07
Release date:2021-12-01
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
7VV5
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BU of 7vv5 by Molmil
Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with C48/80, state1
Descriptor: 2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{N}-methyl-ethanamine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Li, Y, Yang, F.
Deposit date:2021-11-04
Release date:2021-12-01
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
7VDL
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BU of 7vdl by Molmil
Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with circular cortistatin-14
Descriptor: CHOLESTEROL, 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:Li, Y, Yang, F.
Deposit date:2021-09-07
Release date:2021-12-01
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
7VUY
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BU of 7vuy by Molmil
Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with PAMP-12. state1
Descriptor: CHOLESTEROL, 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:Li, Y, Yang, F.
Deposit date:2021-11-04
Release date:2021-12-01
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
7VDH
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BU of 7vdh by Molmil
Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with C48/80, state2
Descriptor: 2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{N}-methyl-ethanamine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Li, Y, Yang, F.
Deposit date:2021-09-07
Release date:2021-12-01
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
7VV3
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BU of 7vv3 by Molmil
Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with linear cortistatin-14
Descriptor: CHOLESTEROL, 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:Li, Y, Yang, F.
Deposit date:2021-11-04
Release date:2021-12-01
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
5XRW
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BU of 5xrw by Molmil
Crystal structure of flagellar motor switch complex from H. pylori
Descriptor: FliN, FliY
Authors:Xue, C, Lam, K.H, Au, S.W.N.
Deposit date:2017-06-10
Release date:2018-06-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three SpoA-domain proteins interact in the creation of the flagellar type III secretion system inHelicobacter pylori.
J.Biol.Chem., 293, 2018
5YBJ
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BU of 5ybj by Molmil
Structure of apo KANK1 ankyrin domain
Descriptor: GLYCEROL, KN motif and ankyrin repeat domain-containing protein 1
Authors:Guo, Q, Liao, S, Min, J, Xu, C, Structural Genomics Consortium (SGC)
Deposit date:2017-09-05
Release date:2017-12-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.341 Å)
Cite:Structural basis for the recognition of kinesin family member 21A (KIF21A) by the ankyrin domains of KANK1 and KANK2 proteins.
J. Biol. Chem., 293, 2018
5YBV
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BU of 5ybv by Molmil
The structure of the KANK2 ankyrin domain with the KIF21A peptide
Descriptor: GLYCEROL, KN motif and ankyrin repeat domain-containing protein 2, Kinesin-like protein KIF21A, ...
Authors:Guo, Q, Liao, S, Min, J, Xu, C, Structural Genomics Consortium (SGC)
Deposit date:2017-09-05
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis for the recognition of kinesin family member 21A (KIF21A) by the ankyrin domains of KANK1 and KANK2 proteins.
J. Biol. Chem., 293, 2018
5YBU
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BU of 5ybu by Molmil
Structure of the KANK1 ankyrin domain in complex with KIF21A peptide
Descriptor: KN motif and ankyrin repeat domain-containing protein 1, Kinesin-like protein KIF21A
Authors:Guo, Q, Liao, S, Min, J, Xu, C, Structural Genomics Consortium (SGC)
Deposit date:2017-09-05
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural basis for the recognition of kinesin family member 21A (KIF21A) by the ankyrin domains of KANK1 and KANK2 proteins.
J. Biol. Chem., 293, 2018
7CNG
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BU of 7cng by Molmil
Structure of CDK5R1 bound FEM1B
Descriptor: Protein fem-1 homolog B,Peptide from Cyclin-dependent kinase 5 activator 1, SULFATE ION
Authors:Chen, X, Liao, S, Xu, C.
Deposit date:2020-07-31
Release date:2020-10-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Molecular basis for arginine C-terminal degron recognition by Cul2 FEM1 E3 ligase.
Nat.Chem.Biol., 17, 2021
7CUA
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BU of 7cua by Molmil
The structure of YoeB dimer from Staphylococcus aureus
Descriptor: SULFATE ION, YoeB
Authors:Yue, J, Xue, L.
Deposit date:2020-08-21
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Distinct oligomeric structures of the YoeB-YefM complex provide insights into the conditional cooperativity of type II toxin-antitoxin system.
Nucleic Acids Res., 48, 2020
7D2Y
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BU of 7d2y by Molmil
complex of two RRM domains
Descriptor: Embryonic developmental protein tofu-6, RRM2, SULFATE ION
Authors:Wang, X, Liao, S, Xu, C.
Deposit date:2020-09-17
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Molecular basis for PICS-mediated piRNA biogenesis and cell division.
Nat Commun, 12, 2021
7D1L
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BU of 7d1l by Molmil
complex structure of two RRM domains
Descriptor: Embryonic developmental protein tofu-6, Uncharacterized protein
Authors:Wang, X, Liao, S, Xu, C.
Deposit date:2020-09-14
Release date:2021-08-25
Last modified:2021-10-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular basis for PICS-mediated piRNA biogenesis and cell division.
Nat Commun, 12, 2021
7EL6
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BU of 7el6 by Molmil
Structure of SMCR8 bound FEM1B
Descriptor: Protein fem-1 homolog B,Guanine nucleotide exchange protein SMCR8
Authors:Zhao, S, Xu, C.
Deposit date:2021-04-08
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structural insights into SMCR8 C-degron recognition by FEM1B.
Biochem.Biophys.Res.Commun., 557, 2021
7EJS
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BU of 7ejs by Molmil
Structure of ERH-2 bound to PICS-1
Descriptor: Enhancer of rudimentary homolog 2,Protein pid-3
Authors:Wang, X, Xu, C.
Deposit date:2021-04-02
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.387 Å)
Cite:Molecular basis for PICS-mediated piRNA biogenesis and cell division.
Nat Commun, 12, 2021
7EJO
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BU of 7ejo by Molmil
Structure of ERH-2 bound to TOST-1
Descriptor: Enhancer of rudimentary homolog 2, Enhancer of rudimentary homolog 2,Protein tost-1
Authors:Wang, X, Xu, C.
Deposit date:2021-04-02
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.191 Å)
Cite:Molecular basis for PICS-mediated piRNA biogenesis and cell division.
Nat Commun, 12, 2021
7FAX
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BU of 7fax by Molmil
Complex structure of TbLeo1 and LW domain from Trypanosoma brucei
Descriptor: TbLW, TbLeo1 peptide
Authors:Liao, S, Gao, J, Tu, X.
Deposit date:2021-07-07
Release date:2022-07-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for evolutionarily conserved interactions between TFIIS and Paf1C.
Int.J.Biol.Macromol., 253, 2023
7F1E
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BU of 7f1e by Molmil
Structure of METTL6 bound with SAM
Descriptor: S-ADENOSYLMETHIONINE, tRNA N(3)-methylcytidine methyltransferase METTL6
Authors:Li, S, Liao, S, Xu, C.
Deposit date:2021-06-09
Release date:2022-01-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.589 Å)
Cite:Structural basis for METTL6-mediated m3C RNA methylation.
Biochem.Biophys.Res.Commun., 589, 2021

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