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6LJM
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BU of 6ljm by Molmil
Crystal structure of human Sirt5 in complex with the fluorogenic tetrapeptide substrate P13
Descriptor: 7-AMINO-4-METHYL-CHROMEN-2-ONE, ACE-SER-LEU-GLY-SLL, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Chen, Q, Yu, Y.
Deposit date:2019-12-17
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
6LJN
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BU of 6ljn by Molmil
Crystal structure of human Sirt5 in complex with the fluorogenic tetrapeptide substrate P15
Descriptor: 7-AMINO-4-METHYL-CHROMEN-2-ONE, ACE-HIS-PHE-SER-SLL, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Chen, Q, Yu, Y.
Deposit date:2019-12-17
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
6LJK
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BU of 6ljk by Molmil
Crystal structure of human Sirt5 in complex with an internally quenched fluorescent substrate GluIQF
Descriptor: BE2-SER-ALA-ILE-LYS-SER-NIY-GLY-SET, GLUTARIC ACID, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Chen, Q, Yu, Y.
Deposit date:2019-12-17
Release date:2020-12-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.394 Å)
Cite:Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
7Y8L
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BU of 7y8l by Molmil
Structure of ScIRED-R2-V3 from Streptomyces clavuligerus in complex with 5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
Descriptor: 5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T.
Deposit date:2022-06-24
Release date:2023-06-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Engineered Imine Reductase for Larotrectinib Intermediate Manufacture
Acs Catalysis, 12, 2022
4EIK
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BU of 4eik by Molmil
Crystal Structure of the Human Fyn SH3 domain in complex with the synthetic peptide VSL12
Descriptor: SODIUM ION, Tyrosine-protein kinase Fyn, VSL12 peptide
Authors:Camara-Artigas, A.
Deposit date:2012-04-05
Release date:2013-04-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallization of and selenomethionine phasing strategy for a SETMAR-DNA complex.
Acta Crystallogr F Struct Biol Commun, 72, 2016
7BZC
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BU of 7bzc by Molmil
Crystal structure of plant sesterterpene synthase AtTPS18 complexed with farnesyl thiolodiphosphate (FSPP)
Descriptor: MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Terpenoid synthase 18
Authors:Li, J.X, Wang, G.D, Zhang, P.
Deposit date:2020-04-27
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Molecular Basis for Sesterterpene Diversity Produced by Plant Terpene Synthases.
Plant Commun., 1, 2020
7BZB
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BU of 7bzb by Molmil
Crystal structure of plant sesterterpene synthase AtTPS18
Descriptor: MAGNESIUM ION, PYROPHOSPHATE, Terpenoid synthase 18
Authors:Li, J.X, Wang, G.D, Zhang, P.
Deposit date:2020-04-27
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.148 Å)
Cite:Molecular Basis for Sesterterpene Diversity Produced by Plant Terpene Synthases.
Plant Commun., 1, 2020
8W8X
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BU of 8w8x by Molmil
Cryo-EM structure of beta-MSH-MC3R-Gs_Nb35 complex
Descriptor: Beta-MSH, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Chen, Q, Fu, J.
Deposit date:2023-09-04
Release date:2025-03-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure basis of ligand selectivity and signal transduction in human melanocortin-3 receptor
To Be Published
8W8Y
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BU of 8w8y by Molmil
Cryo-EM structure of gamma-MSH-MC3R-Gs_Nb35 complex
Descriptor: CALCIUM ION, Gama-MSH, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Chen, Q, Fu, J.
Deposit date:2023-09-04
Release date:2025-03-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure basis of ligand selectivity and signal transduction in human melanocortin-3 receptor
To Be Published
8W8W
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BU of 8w8w by Molmil
Cryo-EM structure of alpha-MSH-MC3R-Gs_Nb35 complex
Descriptor: CALCIUM ION, 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:Chen, Q, Fu, J.
Deposit date:2023-09-04
Release date:2025-03-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure basis of ligand selectivity and signal transduction in human melanocortin-3 receptor
To Be Published
8KIG
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BU of 8kig by Molmil
Cryo-EM structure of MC3R in complex with SHU9119
Descriptor: CALCIUM ION, SHU9119, Soluble cytochrome b562,Melanocortin receptor 3,GlgA glycogen synthase,Fusion protein
Authors:Chen, Q, Fu, J.
Deposit date:2023-08-23
Release date:2025-02-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure basis of ligand selectivity and signal transduction in human melanocortin-3 receptor
To Be Published
5DH3
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BU of 5dh3 by Molmil
Crystal structure of MST2 in complex with XMU-MP-1
Descriptor: 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SULFATE ION, ...
Authors:Kong, L.L, Yun, C.H.
Deposit date:2015-08-29
Release date:2016-08-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.468 Å)
Cite:Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration
Sci Transl Med, 8, 2016
7N5U
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BU of 7n5u by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 21)
Descriptor: DNA Strain II, DNA Strand I, ZINC ION, ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2021-06-06
Release date:2022-06-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
7N5W
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BU of 7n5w by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 23)
Descriptor: 1,2-ETHANEDIOL, DNA Strand I, DNA Strand II, ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2021-06-06
Release date:2022-06-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
7N5V
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BU of 7n5v by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 20)
Descriptor: DNA Strand I, DNA Strand II, ZINC ION, ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2021-06-06
Release date:2022-06-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
1U4A
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BU of 1u4a by Molmil
Solution structure of human SUMO-3 C47S
Descriptor: Ubiquitin-like protein SMT3A
Authors:Ding, H, Xu, Y, Dai, H, Tang, Y, Wu, J, Shi, Y.
Deposit date:2004-07-23
Release date:2005-03-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of Human SUMO-3 C47S and Its Binding Surface for Ubc9
Biochemistry, 44, 2005
9INR
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BU of 9inr by Molmil
Crystal structure of PIN1 in complex with inhibitor C3
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ...
Authors:Zhang, L.J, Zhang, L.Y.
Deposit date:2024-07-08
Release date:2024-09-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Re-Evaluating PIN1 as a Therapeutic Target in Oncology Using Neutral Inhibitors and PROTACs.
J.Med.Chem., 67, 2024
9LIA
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BU of 9lia by Molmil
Crystal structure of AaHPPD-ZD001 complex
Descriptor: 4-hydroxyphenylpyruvate dioxygenase, 5-(1-methyl-5-oxidanyl-pyrazol-4-yl)carbonyl-2-(phenylmethyl)isoindole-1,3-dione, COBALT (II) ION
Authors:Yang, G.-F, Lin, H.-Y, Dong, J.
Deposit date:2025-01-14
Release date:2025-07-02
Method:X-RAY DIFFRACTION (1.495 Å)
Cite:Repurposing 4-Hydroxyphenylpyruvate dioxygenase inhibitors as novel agents for mosquito control: A structure-based design approach.
Int.J.Biol.Macromol., 315, 2025
5GOV
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BU of 5gov by Molmil
Crystal Structure of MCR-1, a phosphoethanolamine transferase, extracellular domain
Descriptor: Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION
Authors:Hu, M, Guo, J, Chen, S, Hao, Q.
Deposit date:2016-07-29
Release date:2016-12-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal Structure of Escherichia coli originated MCR-1, a phosphoethanolamine transferase for Colistin Resistance.
Sci Rep, 6, 2016
7FH0
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BU of 7fh0 by Molmil
Crystallographic structure of two neutralizing nanobodies in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Zheng, P, Jin, J.
Deposit date:2021-07-28
Release date:2022-08-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Hetero-bivalent nanobodies provide broad-spectrum protection against SARS-CoV-2 variants of concern including Omicron.
Cell Res., 32, 2022
8E3D
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BU of 8e3d by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing CAST sequence (#11)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*TP*TP*GP*GP*GP*GP*AP*GP*GP*GP*GP*TP*CP*TP*TP*TP*AP*AP*CP*C)-3'), DNA (5'-D(P*GP*GP*TP*AP*AP*AP*AP*GP*AP*CP*CP*CP*CP*TP*CP*CP*CP*CP*AP*AP*AP*T)-3'), ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2022-08-17
Release date:2023-02-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
8E3E
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BU of 8e3e by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing CAST sequence (#10)
Descriptor: DNA (5'-D(*CP*TP*TP*TP*GP*GP*GP*GP*AP*GP*GP*GP*GP*TP*CP*TP*TP*TP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*AP*AP*AP*GP*AP*CP*CP*CP*CP*TP*CP*CP*CP*CP*AP*AP*A)-3'), ZINC ION, ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2022-08-17
Release date:2023-02-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
8F8Y
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BU of 8f8y by Molmil
PHF2 (PHD+JMJ) in Complex with VRK1 N-Terminal Peptide
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase PHF2, SULFATE ION, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2022-11-22
Release date:2023-01-18
Last modified:2023-02-08
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2.
J.Biol.Chem., 299, 2022
8F8Z
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BU of 8f8z by Molmil
PHF2 (PHD+JMJ) in Complex with H3 Histone N-Terminal Peptide
Descriptor: 1,2-ETHANEDIOL, H3 N-Terminal Peptide, Lysine-specific demethylase PHF2, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2022-11-22
Release date:2023-01-18
Last modified:2023-02-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2.
J.Biol.Chem., 299, 2022
6WF3
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BU of 6wf3 by Molmil
Crystal structure of human Naa50 in complex with a cofactor derived inhibitor (compound 1)
Descriptor: ACE-MET-LEU-GLY-PRO-NH2, COENZYME A, N-alpha-acetyltransferase 50
Authors:Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
Deposit date:2020-04-03
Release date:2020-07-01
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.291 Å)
Cite:Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020

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