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PDB: 402 results

6N7Y
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BU of 6n7y by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor MIT-01-102
Descriptor: Farnesyl pyrophosphate synthase, GLYCEROL, PHOSPHATE ION, ...
Authors:Park, J, Berghuis, A.M.
Deposit date:2018-11-28
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (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
6N83
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BU of 6n83 by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037
Descriptor: CHLORIDE ION, Farnesyl pyrophosphate synthase, PHOSPHATE ION, ...
Authors:Park, J, Schilling, M.A, Berghuis, A.M.
Deposit date:2018-11-28
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (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
6N7Z
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BU of 6n7z by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037
Descriptor: CHLORIDE ION, Farnesyl pyrophosphate synthase, GLYCEROL, ...
Authors:Park, J, Berghuis, A.M.
Deposit date:2018-11-28
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.55 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
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
8IS8
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BU of 8is8 by Molmil
CrtMLIKE with two GsPP molecules
Descriptor: CrtM, GERANYL S-THIOLODIPHOSPHATE, MAGNESIUM ION
Authors:Park, J.y.
Deposit date:2023-03-20
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:CrtMLIKE with two GsPP molecules
To Be Published
8IS6
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BU of 8is6 by Molmil
Apo-CrtMLIKE
Descriptor: CrtM
Authors:Park, J.Y.
Deposit date:2023-03-20
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:CrtMKLIKE Apo structure
To Be Published
7SVU
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BU of 7svu by Molmil
TnsBctd-TnsC-TniQ complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (28-MER), DNA (29-MER), ...
Authors:Park, J, Tsai, A.W.T, Kellogg, E.H.
Deposit date:2021-11-19
Release date:2022-11-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structures of the holo CRISPR RNA-guided transposon integration complex
Nature, 613, 2023
4QXS
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BU of 4qxs by Molmil
Crystal structure of human FPPS in complex with WC01088
Descriptor: (2-{2-[(2S)-3-methylbutan-2-yl]-5-phenyl-1H-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, GLYCEROL, ...
Authors:Park, J, Zielinski, M, Weiling, C, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2014-07-21
Release date:2015-02-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the molecular and structural elements of ligands binding to the active site versus an allosteric pocket of the human farnesyl pyrophosphate synthase.
Bioorg.Med.Chem.Lett., 25, 2015
4QY5
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BU of 4qy5 by Molmil
Crystal structures of chimeric beta-lactamase cTEM-19m showing different conformations
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:2014-07-23
Release date:2015-08-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Crystal structures of chimeric beta-lactamase cTEM-19m showing different conformations
To be Published
6WJZ
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BU of 6wjz by Molmil
Crystal structure of human ribokinase in complex with AMPCP
Descriptor: GLYCEROL, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Park, J.
Deposit date:2020-04-15
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of human ribokinase
To Be Published
6WK0
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BU of 6wk0 by Molmil
Crystal structure of human ribokinase in complex with AMPPCP and ribose
Descriptor: PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ribokinase, SODIUM ION, ...
Authors:Park, J.
Deposit date:2020-04-15
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of human ribokinase
To Be Published
5TUF
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BU of 5tuf by Molmil
Crystal structure of tetracycline destructase Tet(50) in complex with anhydrotetracycline
Descriptor: 5A,6-ANHYDROTETRACYCLINE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Park, J, Tolia, N.H.
Deposit date:2016-11-06
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Plasticity, dynamics, and inhibition of emerging tetracycline resistance enzymes.
Nat. Chem. Biol., 13, 2017
4DEM
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BU of 4dem by Molmil
Crystal structure of human FPPS in complex with YS_04_70
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, [({4-[4-(propan-2-yloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)
Authors:Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2012-01-20
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design and Synthesis of Active Site Inhibitors of the Human Farnesyl Pyrophosphate Synthase: Apoptosis and Inhibition of ERK Phosphorylation in Multiple Myeloma Cells.
J.Med.Chem., 55, 2012
5TUK
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BU of 5tuk by Molmil
Crystal structure of tetracycline destructase Tet(51)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Tetracycline destructase Tet(51)
Authors:Park, J, Tolia, N.H.
Deposit date:2016-11-06
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Plasticity, dynamics, and inhibition of emerging tetracycline resistance enzymes.
Nat. Chem. Biol., 13, 2017
5TUI
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BU of 5tui by Molmil
Crystal structure of tetracycline destructase Tet(50) in complex with chlortetracycline
Descriptor: 7-CHLOROTETRACYCLINE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Park, J, Tolia, N.H.
Deposit date:2016-11-06
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Plasticity, dynamics, and inhibition of emerging tetracycline resistance enzymes.
Nat. Chem. Biol., 13, 2017
5TUE
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BU of 5tue by Molmil
Crystal structure of tetracycline destructase Tet(50)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, Tetracycline destructase Tet(50)
Authors:Park, J, Tolia, N.H.
Deposit date:2016-11-05
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Plasticity, dynamics, and inhibition of emerging tetracycline resistance enzymes.
Nat. Chem. Biol., 13, 2017
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
5TUM
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BU of 5tum by Molmil
Crystal structure of tetracycline destructase Tet(56)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, tetracycline destructase Tet(56)
Authors:Park, J, Tolia, N.H.
Deposit date:2016-11-06
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.299 Å)
Cite:Plasticity, dynamics, and inhibition of emerging tetracycline resistance enzymes.
Nat. Chem. Biol., 13, 2017
5TUL
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BU of 5tul by Molmil
Crystal structure of tetracycline destructase Tet(55)
Descriptor: PHOSPHATE ION, Tetracycline destructase Tet(55)
Authors:Park, J, Tolia, N.H.
Deposit date:2016-11-06
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Plasticity, dynamics, and inhibition of emerging tetracycline resistance enzymes.
Nat. Chem. Biol., 13, 2017
6C57
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BU of 6c57 by Molmil
Crystal structure of mutant human geranylgeranyl pyrophosphate synthase (Y246D) in complex with bisphosphonate inhibitor FV0109
Descriptor: Geranylgeranyl pyrophosphate synthase, {[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)
Authors:Park, J, Bin, X, Vincent, F, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2018-01-15
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Unraveling the Prenylation-Cancer Paradox in Multiple Myeloma with Novel Geranylgeranyl Pyrophosphate Synthase (GGPPS) Inhibitors.
J. Med. Chem., 61, 2018
6C56
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BU of 6c56 by Molmil
Crystal structure of mutant human geranylgeranyl pyrophosphate synthase (Y246D) in its Apo form
Descriptor: Geranylgeranyl pyrophosphate synthase, {[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)
Authors:Park, J, Ta, V, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2018-01-15
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Unraveling the Prenylation-Cancer Paradox in Multiple Myeloma with Novel Geranylgeranyl Pyrophosphate Synthase (GGPPS) Inhibitors.
J. Med. Chem., 61, 2018
8UDK
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BU of 8udk by Molmil
Human Mitochondrial DNA Polymerase gamma R853A Ternary Complex
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (24-MER), DNA (28-MER), ...
Authors:Park, J, Herrmann, G.K, Yin, Y.W.
Deposit date:2023-09-28
Release date:2024-06-05
Method:X-RAY DIFFRACTION (3.43 Å)
Cite:An interaction network in the polymerase active site is a prerequisite for Watson-Crick base pairing in Pol gamma.
Sci Adv, 10, 2024
8UDL
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BU of 8udl by Molmil
Human Mitochondrial DNA Polymerase Gamma Binary Complex
Descriptor: 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*C)-3'), DNA (5'-D(P*AP*GP*GP*TP*AP*TP*GP*GP*CP*AP*CP*TP*GP*GP*CP*CP*GP*TP*CP*GP*TP*TP*TP*T)-3'), DNA polymerase subunit gamma-1, ...
Authors:Park, J, Yin, Y.W.
Deposit date:2023-09-28
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (2.37 Å)
Cite:An interaction network in the polymerase active site is a prerequisite for Watson-Crick base pairing in Pol gamma.
Sci Adv, 10, 2024
8IS7
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BU of 8is7 by Molmil
CrtMLIKE with two FsPP molecules.
Descriptor: CrtM, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE
Authors:Park, J.Y.
Deposit date:2023-03-20
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:CrtMLIKE with two FsPP molecules.
To Be Published
8ISA
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BU of 8isa by Molmil
CrtMLIKE with one GsPP molecule
Descriptor: CrtM, GERANYL S-THIOLODIPHOSPHATE
Authors:Park, J.Y.
Deposit date:2023-03-20
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:CrtMLIKE with one GsPP molecule
To Be Published

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PDB entries from 2024-07-17

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