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PDB: 339 results

5JUZ
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BU of 5juz by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor CL-06-057
Descriptor: CHLORIDE ION, Farnesyl pyrophosphate synthase, [(R)-(2,3-dihydro-1-benzofuran-5-yl){[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl]phosphonic acid
Authors:Park, J, Magder, A, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2016-05-10
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
5JV2
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BU of 5jv2 by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor MIT-01-055
Descriptor: CHLORIDE ION, Farnesyl pyrophosphate synthase, PHOSPHATE ION, ...
Authors:Park, J, Magder, A, Tsakos, M, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2016-05-10
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
8D37
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BU of 8d37 by Molmil
Human mitochondrial DNA polymerase gamma ternary complex with GT basepair in replication conformer
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (25-MER), ...
Authors:Park, J, Yin, Y.W.
Deposit date:2022-05-31
Release date:2023-05-24
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Pol gamma coordinates DNA synthesis and proofreading to ensure mitochondrial genome integrity.
Nat.Struct.Mol.Biol., 30, 2023
8D33
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BU of 8d33 by Molmil
Human mitochondrial DNA polymerase gamma ternary complex with GC basepair
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (25-MER), ...
Authors:Park, J, Yin, Y.W.
Deposit date:2022-05-31
Release date:2023-05-24
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.46 Å)
Cite:Pol gamma coordinates DNA synthesis and proofreading to ensure mitochondrial genome integrity.
Nat.Struct.Mol.Biol., 30, 2023
8D3R
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BU of 8d3r by Molmil
Human mitochondrial DNA polymerase gamma ternary complex with GT basepair in intermediate conformer
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*AP*AP*AP*AP*CP*GP*AP*CP*GP*GP*CP*CP*AP*GP*TP*GP*CP*CP*AP*TP*AP*T)-3'), ...
Authors:Park, J, Yin, Y.W.
Deposit date:2022-06-01
Release date:2023-05-24
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Pol gamma coordinates DNA synthesis and proofreading to ensure mitochondrial genome integrity.
Nat.Struct.Mol.Biol., 30, 2023
8D42
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BU of 8d42 by Molmil
Human mitochondrial DNA polymerase gamma ternary complex with GT basepair in editing conformer (composite)
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*AP*AP*AP*CP*GP*AP*CP*GP*GP*CP*CP*AP*GP*TP*GP*CP*CP*AP*TP*AP*T)-3'), ...
Authors:Park, J, Yin, Y.W.
Deposit date:2022-06-01
Release date:2023-05-24
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Pol gamma coordinates DNA synthesis and proofreading to ensure mitochondrial genome integrity.
Nat.Struct.Mol.Biol., 30, 2023
5KSX
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BU of 5ksx by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor AM-02-072
Descriptor: Farnesyl pyrophosphate synthase, PHOSPHATE ION, [[(2~{S})-2-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoyl]amino]phosphonic acid
Authors:Park, J, Matralis, A, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2016-07-10
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
6JCG
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BU of 6jcg by Molmil
Room temperature structure of HIV-1 Integrase catalytic core domain by serial femtosecond crystallography.
Descriptor: CACODYLATE ION, Integrase
Authors:Park, J.H, Shi, Y, Han, J, Li, X, Kim, T.H, Yun, J.H.
Deposit date:2019-01-28
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Non-Cryogenic Structure and Dynamics of HIV-1 Integrase Catalytic Core Domain by X-ray Free-Electron Lasers.
Int J Mol Sci, 20, 2019
8DTM
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BU of 8dtm by Molmil
Cryo-EM structure of insulin receptor (IR) bound with S597 component 2
Descriptor: Insulin mimetic peptide S597 component 2, Insulin receptor
Authors:Park, J, Li, J, Mayer, J.P, Ball, K.A, Wu, J.Y, Hall, C, Accili, D, Stowell, M.H.B, Bai, X.C, Choi, E.
Deposit date:2022-07-26
Release date:2022-09-07
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Activation of the insulin receptor by an insulin mimetic peptide.
Nat Commun, 13, 2022
8DTL
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BU of 8dtl by Molmil
Cryo-EM structure of insulin receptor (IR) bound with S597 peptide
Descriptor: Insulin mimetic peptide S597, Insulin receptor
Authors:Park, J, Li, J, Mayer, J.P, Ball, K.A, Wu, J.Y, Hall, C, Accili, D, Stowell, M.H.B, Bai, X.C, Choi, E.
Deposit date:2022-07-25
Release date:2022-09-07
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Activation of the insulin receptor by an insulin mimetic peptide.
Nat Commun, 13, 2022
6JCF
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BU of 6jcf by Molmil
Cryogenic structure of HIV-1 Integrase catalytic core domain by synchrotron
Descriptor: CACODYLATE ION, Integrase
Authors:Park, J.H, Han, J, Kim, T.H, Yun, J.H, Lee, W.
Deposit date:2019-01-28
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Non-Cryogenic Structure and Dynamics of HIV-1 Integrase Catalytic Core Domain by X-ray Free-Electron Lasers.
Int J Mol Sci, 20, 2019
5JEB
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BU of 5jeb by Molmil
Crystal structure of EGFR tyrosine kinase domain with novel inhibitor of active state of HER2
Descriptor: 3-(furan-2-yl)-N-[5-(furan-2-yl)-2-methoxyphenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Epidermal growth factor receptor, SULFATE ION
Authors:Park, J.H, Lemmon, M.A.
Deposit date:2016-04-18
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.298 Å)
Cite:Overcoming resistance to HER2 inhibitors through state-specific kinase binding.
Nat.Chem.Biol., 12, 2016
5JA0
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BU of 5ja0 by Molmil
Crystal structure of human FPPS with allosterically bound FPP
Descriptor: FARNESYL DIPHOSPHATE, Farnesyl pyrophosphate synthase, PHOSPHATE ION
Authors:Park, J, Zielinski, M, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2016-04-11
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human farnesyl pyrophosphate synthase is allosterically inhibited by its own product.
Nat Commun, 8, 2017
6K8C
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BU of 6k8c by Molmil
Crystal structure of Helicobacter pylori folylpolyglutamate synthetase
Descriptor: CITRIC ACID, Folylpolyglutamate synthase (FolC), GLYCEROL
Authors:Park, J.S, Han, B.W.
Deposit date:2019-06-11
Release date:2019-11-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.95174968 Å)
Cite:Structural Analyses of Helicobacter Pylori FolC Conducting Glutamation in Folate Metabolism.
Crystals, 2019
6IQ6
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BU of 6iq6 by Molmil
Crystal structure of GAPDH
Descriptor: (2Z)-4-methoxy-4-oxobut-2-enoic acid, Glyceraldehyde-3-phosphate dehydrogenase
Authors:Park, J.B, Park, H.Y.
Deposit date:2018-11-06
Release date:2019-08-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural Study of Monomethyl Fumarate-Bound Human GAPDH.
Mol.Cells, 42, 2019
8H53
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BU of 8h53 by Molmil
Human asparaginyl-tRNA synthetase in complex with asparagine-AMP
Descriptor: 4-AMINO-1,4-DIOXOBUTAN-2-AMINIUM ADENOSINE-5'-MONOPHOSPHATE, Asparagine--tRNA ligase, cytoplasmic, ...
Authors:Park, J.S, Han, B.W.
Deposit date:2022-10-12
Release date:2023-10-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
7FCI
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BU of 7fci by Molmil
human NTCP in complex with YN69083 Fab
Descriptor: Fab Heavy chain, Fab Light chain, Sodium/bile acid cotransporter
Authors:Park, J.H, Iwamoto, M, Yun, J.H, Uchikubo-Kamo, T, Son, D, Jin, Z, Yoshida, H, Ohki, M, Ishimoto, N, Mizutani, K, Oshima, M, Muramatsu, M, Wakita, T, Shirouzu, M, Liu, K, Uemura, T, Nomura, N, Iwata, S, Watashi, K, Tame, J.R.H, Nishizawa, T, Lee, W, Park, S.Y.
Deposit date:2021-07-14
Release date:2022-05-25
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into the HBV receptor and bile acid transporter NTCP.
Nature, 606, 2022
6L2U
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BU of 6l2u by Molmil
Soluble methane monooxygenase reductase FAD-binding domain from Methylosinus sporium.
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Methane monooxygenase
Authors:Park, J.H, Ha, S.C, Rao, Z, Yoo, H, Yoon, C, Kim, S.Y, Kim, D.S, Lee, S.J.
Deposit date:2019-10-07
Release date:2021-03-03
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Elucidation of the electron transfer environment in the MMOR FAD-binding domain from Methylosinus sporium 5.
Dalton Trans, 50, 2021
6OAH
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BU of 6oah by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02-78
Descriptor: Farnesyl pyrophosphate synthase, GLYCEROL, PHOSPHATE ION, ...
Authors:Park, J, Berghuis, A.M.
Deposit date:2019-03-16
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
J.Med.Chem., 62, 2019
6OAG
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BU of 6oag by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02-82
Descriptor: Farnesyl pyrophosphate synthase, PHOSPHATE ION, [(1S)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
Authors:Park, J, Berghuis, A.M.
Deposit date:2019-03-16
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
J.Med.Chem., 62, 2019
7SVW
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BU of 7svw by Molmil
Strand-transfer complex of TnsB from ShCAST
Descriptor: MAGNESIUM ION, STC_LE_For, STC_LE_Rev1, ...
Authors:Park, J, Tsai, A.W.T, Kellogg, E.H.
Deposit date:2021-11-19
Release date:2022-08-10
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Mechanistic details of CRISPR-associated transposon recruitment and integration revealed by cryo-EM.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SVV
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BU of 7svv by Molmil
TnsBctd-TnsC complex
Descriptor: DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ...
Authors:Park, J, Tsai, A.W.T, Kellogg, E.H.
Deposit date:2021-11-19
Release date:2022-08-10
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Mechanistic details of CRISPR-associated transposon recruitment and integration revealed by cryo-EM.
Proc.Natl.Acad.Sci.USA, 119, 2022
4QY6
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BU of 4qy6 by Molmil
Crystal structures of chimeric beta-lactamase cTEM-19m showing different conformations
Descriptor: Beta-lactamase TEM, Beta-lactamase PSE-4, CHLORIDE ION, ...
Authors:Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M.
Deposit date:2014-07-23
Release date:2015-08-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structures of chimeric beta-lactamase cTEM-19m showing different conformations
To be Published
4R4R
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BU of 4r4r by Molmil
Crystal structure of chimeric beta-lactamase cTEM-19m at 1.2 angstrom resolution
Descriptor: Beta-lactamase TEM,Beta-lactamase PSE-4, CHLORIDE ION, MAGNESIUM ION
Authors:Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M.
Deposit date:2014-08-19
Release date:2015-11-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The Structural Dynamics of Engineered beta-Lactamases Vary Broadly on Three Timescales yet Sustain Native Function.
Sci Rep, 9, 2019
4R4S
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BU of 4r4s by Molmil
Crystal structure of chimeric beta-lactamase cTEM-19m at 1.1 angstrom resolution
Descriptor: Beta-lactamase TEM,Beta-lactamase PSE-4, CHLORIDE ION, MAGNESIUM ION
Authors:Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M.
Deposit date:2014-08-19
Release date:2015-11-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The Structural Dynamics of Engineered beta-Lactamases Vary Broadly on Three Timescales yet Sustain Native Function.
Sci Rep, 9, 2019

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