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4KJV
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BU of 4kjv by Molmil
Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor.
Descriptor: 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Lukacs, C.M, Janson, C.A.
Deposit date:2013-05-03
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
5DBF
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BU of 5dbf by Molmil
Crystal Structure of Iridoid Synthase from Cantharanthus roseus in complex with NADPH
Descriptor: Iridoid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hu, Y.M, Liu, W.D, Zheng, Y.Y, Xu, Z.X, Ko, T.P, Chen, C.C, Guo, R.T.
Deposit date:2015-08-21
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms
Angew.Chem.Int.Ed.Engl., 54, 2015
5DBI
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BU of 5dbi by Molmil
Crystal Structure of Iridoid Synthase from Cantharanthus roseus in complex with NAD+ and 10-oxogeranial
Descriptor: (2E,6E)-2,6-dimethylocta-2,6-dienedial, Iridoid synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hu, Y.M, Liu, W.D, Zheng, Y.Y, Xu, Z.X, Ko, T.P, Chen, C.C, Guo, R.T.
Deposit date:2015-08-21
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms
Angew.Chem.Int.Ed.Engl., 54, 2015
6ABR
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BU of 6abr by Molmil
Actin interacting protein 5 (Aip5, wild type)
Descriptor: Actin binding protein
Authors:Sun, J, Xie, Y, Toh, J.D.W, Hong, W, MIao, Y, Gao, Y.G.
Deposit date:2018-07-23
Release date:2019-11-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Polarisome scaffolder Spa2-mediated macromolecular condensation of Aip5 for actin polymerization.
Nat Commun, 10, 2019
6A6J
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BU of 6a6j by Molmil
Crystal structure of Zebra fish Y-box protein1 (YB-1) Cold-shock domain in complex with 6mer m5C RNA
Descriptor: RNA (5'-R(P*CP*AP*UP*(5MC)P*U)-3'), ZINC ION, Zebra fish Y-box protein1 (YB-1)
Authors:Zhang, M.M, Wu, B.X, Huang, Y, Ma, J.B.
Deposit date:2018-06-28
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.255 Å)
Cite:RNA 5-Methylcytosine Facilitates the Maternal-to-Zygotic Transition by Preventing Maternal mRNA Decay.
Mol.Cell, 75, 2019
6JK8
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BU of 6jk8 by Molmil
Cryo-EM structure of the full-length human IGF-1R in complex with insulin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin, ...
Authors:Zhang, X, Yu, D, Wang, T.
Deposit date:2019-02-27
Release date:2020-03-04
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Visualization of Ligand-Bound Ectodomain Assembly in the Full-Length Human IGF-1 Receptor by Cryo-EM Single-Particle Analysis.
Structure, 28, 2020
5D8Z
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BU of 5d8z by Molmil
Structrue of a lucidum protein
Descriptor: beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, endoglucanase
Authors:Guo, R, Li, Q, Shang, N, Liu, G, Ko, T.P, Chen, C.C, Liu, W.
Deposit date:2015-08-18
Release date:2016-06-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Functional and structural analyses of a 1,4-beta-endoglucanase from Ganoderma lucidum.
Enzyme.Microb.Technol., 86, 2016
8IWE
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BU of 8iwe by Molmil
Cryo-EM structure of the SPE-mTAAR9 complex
Descriptor: SPERMIDINE, Trace amine-associated receptor 9
Authors:Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
Deposit date:2023-03-29
Release date:2023-05-31
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
8IW1
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BU of 8iw1 by Molmil
Cryo-EM structure of the PEA-bound mTAAR9-Golf 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(i) subunit alpha-1,Guanine nucleotide-binding protein G(olf) subunit alpha, ...
Authors:Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
Deposit date:2023-03-29
Release date:2023-05-31
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
8IW4
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BU of 8iw4 by Molmil
Cryo-EM structure of the SPE-bound mTAAR9-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:Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
Deposit date:2023-03-29
Release date:2023-05-31
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
8ITF
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BU of 8itf by Molmil
Cryo-EM structure of the DMCHA-bound mTAAR9-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:Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
Deposit date:2023-03-22
Release date:2023-05-31
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
8IW7
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BU of 8iw7 by Molmil
Cryo-EM structure of the PEA-bound mTAAR9-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:Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
Deposit date:2023-03-29
Release date:2023-05-31
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
8IW9
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BU of 8iw9 by Molmil
Cryo-EM structure of the CAD-bound mTAAR9-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:Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
Deposit date:2023-03-29
Release date:2023-05-31
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
8IWM
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BU of 8iwm by Molmil
Cryo-EM structure of the PEA-bound mTAAR9 complex
Descriptor: 2-PHENYLETHYLAMINE, Trace amine-associated receptor 9
Authors:Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
Deposit date:2023-03-30
Release date:2023-05-31
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
8IWO
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BU of 8iwo by Molmil
The rice Na+/H+ antiporter SOS1 in an auto-inhibited state
Descriptor: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, OsSOS1
Authors:Zhang, X.Y, Tang, L.H, Zhang, C.R, Nie, J.W.
Deposit date:2023-03-30
Release date:2023-11-22
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structure and activation mechanism of the rice Salt Overly Sensitive 1 (SOS1) Na + /H + antiporter.
Nat.Plants, 9, 2023
6ABS
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BU of 6abs by Molmil
Actin interacting protein 5 (Aip5, mutant)
Descriptor: Actin binding protein, PENTAETHYLENE GLYCOL, TRIETHYLENE GLYCOL
Authors:Sun, J, Ying, X, Toh, J, Hong, W, Miao, Y, Gao, Y.G.
Deposit date:2018-07-23
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Polarisome scaffolder Spa2-mediated macromolecular condensation of Aip5 for actin polymerization.
Nat Commun, 10, 2019
7E3K
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BU of 7e3k by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
Descriptor: 13G9 heavy chain, 13G9 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
Deposit date:2021-02-09
Release date:2021-09-15
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
7E3L
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BU of 7e3l by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 58G6 heavy chain, 58G6 light chain, ...
Authors:Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
Deposit date:2021-02-09
Release date:2021-09-15
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
4O1H
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BU of 4o1h by Molmil
Crystal Structure of the regulatory domain of AmeGlnR
Descriptor: Transcription regulator GlnR
Authors:Lin, W, Wang, C, Zhang, P.
Deposit date:2013-12-16
Release date:2014-04-23
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
4O1I
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BU of 4o1i by Molmil
Crystal Structure of the regulatory domain of MtbGlnR
Descriptor: Transcriptional regulatory protein
Authors:Lin, W, Wang, C, Zhang, P.
Deposit date:2013-12-16
Release date:2014-04-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
4OT6
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BU of 4ot6 by Molmil
Crystal structure of BTK kinase domain complexed with 4-Methanesulfonyl-N-(3-{8-[4-(morpholine-4-carbonyl)-phenylamino]-imidazo[1,2-a]pyrazin-6-yl}-phenyl)-benzamide
Descriptor: 4-(methylsulfonyl)-N-[3-(8-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}imidazo[1,2-a]pyrazin-6-yl)phenyl]benzamide, Tyrosine-protein kinase BTK
Authors:Kuglstatter, A, Wong, A.
Deposit date:2014-02-13
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis.
J.Med.Chem., 58, 2015
4OTR
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BU of 4otr by Molmil
Crystal structure of BTK kinase domain complexed with 6-cyclopropyl-2-[3-[5-[[5-(4-ethylpiperazin-1-yl)-2-pyridyl]amino]-1-methyl-6-oxo-3-pyridyl]-2-(hydroxymethyl)phenyl]-8-fluoro-isoquinolin-1-one
Descriptor: 6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2H)-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
Authors:Kuglstatter, A, Wong, A.
Deposit date:2014-02-14
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis.
J.Med.Chem., 58, 2015
4OT5
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BU of 4ot5 by Molmil
Crystal structure of BTK kinase domain complexed with 4-tert-Butyl-N-(3-{8-[4-(4-methyl-piperazine-1-carbonyl)-phenylamino]-imidazo[1,2-a]pyrazin-6-yl}-phenyl)-benzamide
Descriptor: 4-tert-butyl-N-{3-[8-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)imidazo[1,2-a]pyrazin-6-yl]phenyl}benzamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
Authors:Kuglstatter, A, Wong, A.
Deposit date:2014-02-13
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis.
J.Med.Chem., 58, 2015
4OTQ
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BU of 4otq by Molmil
Crystal structure of BTK kinase domain complexed with 1-[5-[3-(7-tert-butyl-4-oxo-quinazolin-3-yl)-2-methyl-phenyl]-1-methyl-2-oxo-3-pyridyl]-3-methyl-urea
Descriptor: 1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4H)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
Authors:Kuglstatter, A, Wong, A.
Deposit date:2014-02-14
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis.
J.Med.Chem., 58, 2015
4PTC
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BU of 4ptc by Molmil
Structure of a carboxamide compound (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) to GSK3b
Descriptor: 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M.
Deposit date:2014-03-10
Release date:2015-04-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.711 Å)
Cite:Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015

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