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7NGK
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BU of 7ngk by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGT
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BU of 7ngt by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-butyl-4-methyl-piperidine-1-carboxamide
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGX
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BU of 7ngx by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: 4-methyl-~{N}-undecyl-pyridine-1-carboxamide, HTH-type transcriptional regulator EthR
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGM
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BU of 7ngm by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: 4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide, HTH-type transcriptional regulator EthR
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGW
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BU of 7ngw by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
2RC5
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BU of 2rc5 by Molmil
Refined structure of FNR from Leptospira interrogans
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin-NADP reductase, SULFATE ION, ...
Authors:Nascimento, A.S, Catalano-Dupuy, D.L, Polikarpov, I, Ceccarelli, E.A.
Deposit date:2007-09-19
Release date:2008-03-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.431 Å)
Cite:Crystal structures of Leptospira interrogans FAD-containing ferredoxin-NADP+ reductase and its complex with NADP+.
Bmc Struct.Biol., 7, 2007
2RC6
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BU of 2rc6 by Molmil
Refined structure of FNR from Leptospira interrogans bound to NADP+
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin-NADP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Nascimento, A.S, Catalano-Dupuy, D.L, Ceccarelli, E.A, Polikarpov, I.
Deposit date:2007-09-19
Release date:2008-03-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of Leptospira interrogans FAD-containing ferredoxin-NADP+ reductase and its complex with NADP+.
Bmc Struct.Biol., 7, 2007
5HNQ
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BU of 5hnq by Molmil
Base Pairing and Structure Insights into the 5-Formylcytosine in RNA Duplex
Descriptor: 5fC modified RNA
Authors:Luo, Z, Sheng, J.
Deposit date:2016-01-18
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Base pairing and structural insights into the 5-formylcytosine in RNA duplex.
Nucleic Acids Res., 44, 2016
5HN2
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BU of 5hn2 by Molmil
Base Pairing and Structure Insights into the 5-Formylcytosine in RNA Duplex
Descriptor: RNA (5'-R(*GP*UP*AP*(OFC)P*GP*UP*AP*C)-3'), SODIUM ION
Authors:Luo, Z.P, Sheng, J.
Deposit date:2016-01-18
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Base pairing and structural insights into the 5-formylcytosine in RNA duplex.
Nucleic Acids Res., 44, 2016
5HNJ
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BU of 5hnj by Molmil
Base Pairing and Structure Insights into the 5-Formylcytosine in RNA Duplex
Descriptor: RNA (5'-R(*GP*UP*AP*(OFC)P*GP*UP*AP*C)-3'), SODIUM ION
Authors:Luo, Z.P, Sheng, J.
Deposit date:2016-01-18
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Base pairing and structural insights into the 5-formylcytosine in RNA duplex.
Nucleic Acids Res., 44, 2016
5IKC
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BU of 5ikc by Molmil
X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN in complex with FAB
Descriptor: CHLORIDE ION, Ighg protein, MAb 6H10 light chain, ...
Authors:Ruf, A, Stihle, M, Benz, J, Thoma, R, Rudolph, M.G.
Deposit date:2016-03-03
Release date:2016-05-18
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016
2V9N
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BU of 2v9n by Molmil
L-RHAMNULOSE-1-PHOSPHATE ALDOLASE FROM ESCHERICHIA COLI (MUTANT A88F- E192A)
Descriptor: CITRIC ACID, GLYCEROL, PHOSPHATE ION, ...
Authors:Grueninger, D, Schulz, G.E.
Deposit date:2007-08-24
Release date:2008-01-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Designed protein-protein association.
Science, 319, 2008
5JHB
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BU of 5jhb by Molmil
Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin3
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
Authors:Burke, J.E, Inglis, A.J, Williams, R.L.
Deposit date:2016-04-20
Release date:2017-03-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
5JHA
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BU of 5jha by Molmil
Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin2
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
Authors:Burke, J.E, Inglis, A.J, Williams, R.L.
Deposit date:2016-04-20
Release date:2017-03-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
6O9N
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BU of 6o9n by Molmil
Structural insights on a new fungal aryl-alcohol oxidase
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kadowaki, M.A.S, Polikarpov, I.
Deposit date:2019-03-14
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Enzymatic versatility and thermostability of a new aryl-alcohol oxidase from Thermothelomyces thermophilus M77.
Biochim Biophys Acta Gen Subj, 1864, 2020
6P1F
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BU of 6p1f by Molmil
apo PmoF2 PCuAC domain
Descriptor: Copper chaperone PCu(A)C
Authors:Fisher, O.S, Sendzik, M.R, Rosenzweig, A.C.
Deposit date:2019-05-19
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.654 Å)
Cite:PCuAC domains from methane-oxidizing bacteria use a histidine brace to bind copper.
J.Biol.Chem., 294, 2019
6PFY
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BU of 6pfy by Molmil
Membrane Protein Megahertz Crystallography at the European XFEL, Photosystem I at synchrotron to 2.9 A
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Fromme, R.
Deposit date:2019-06-23
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Membrane protein megahertz crystallography at the European XFEL.
Nat Commun, 10, 2019
6P17
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BU of 6p17 by Molmil
Apo PCuAC domain from PmoF1
Descriptor: PmoF1
Authors:Sendzik, M.R, Fisher, O.S, Rosenzweig, A.C.
Deposit date:2019-05-19
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:PCuAC domains from methane-oxidizing bacteria use a histidine brace to bind copper.
J.Biol.Chem., 294, 2019
6P1E
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BU of 6p1e by Molmil
Cu-bound PmoF1 PCuAC domain (dimer)
Descriptor: COPPER (II) ION, PmoF1, THIOCYANATE ION
Authors:Fisher, O.S, Sendzik, M.R, Rosenzweig, A.C.
Deposit date:2019-05-19
Release date:2019-09-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.605 Å)
Cite:PCuAC domains from methane-oxidizing bacteria use a histidine brace to bind copper.
J.Biol.Chem., 294, 2019
6P16
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BU of 6p16 by Molmil
Cu-bound PCuAC domain from PmoF1
Descriptor: COPPER (II) ION, PmoF1
Authors:Sendzik, M.R, Fisher, O.S, Rosenzweig, A.C.
Deposit date:2019-05-19
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.913 Å)
Cite:PCuAC domains from methane-oxidizing bacteria use a histidine brace to bind copper.
J.Biol.Chem., 294, 2019
6P1G
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BU of 6p1g by Molmil
Copper-bound PCuAC domain from PmoF2
Descriptor: COPPER (II) ION, Copper chaperone PCu(A)C, ZINC ION
Authors:Fisher, O.S, Rosenzweig, A.C.
Deposit date:2019-05-19
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:PCuAC domains from methane-oxidizing bacteria use a histidine brace to bind copper.
J.Biol.Chem., 294, 2019
6PGK
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BU of 6pgk by Molmil
Membrane Protein Megahertz Crystallography at the European XFEL, Photosystem I XFEL at 2.9 A
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Fromme, R, Gisriel, C, Fromme, P.
Deposit date:2019-06-24
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Membrane protein megahertz crystallography at the European XFEL.
Nat Commun, 10, 2019
6R2O
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BU of 6r2o by Molmil
Hemoglobin structure from serial crystallography with a 3D-printed nozzle.
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Hemoglobin subunit alpha, ...
Authors:Oberthuer, D, Yefanov, O, Sarrou, I.
Deposit date:2019-03-18
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Ultracompact 3D microfluidics for time-resolved structural biology.
Nat Commun, 11, 2020
4EJX
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BU of 4ejx by Molmil
Structure of ceruloplasmin-myeloperoxidase complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Ceruloplasmin, ...
Authors:Samygina, V.R, Sokolov, A.V, Bourenkov, G, Vasilyev, V.B, Bartunik, H.
Deposit date:2012-04-07
Release date:2013-04-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.69 Å)
Cite:Ceruloplasmin: macromolecular assemblies with iron-containing acute phase proteins.
Plos One, 8, 2013
4ENZ
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BU of 4enz by Molmil
Structure of human ceruloplasmin at 2.6 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (II) ION, ...
Authors:Samygina, V.R, Sokolov, A.V, Bourenkov, G, Vasilyev, V.B, Bartunik, H.
Deposit date:2012-04-13
Release date:2013-04-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Ceruloplasmin: macromolecular assemblies with iron-containing acute phase proteins.
Plos One, 8, 2013

220113

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