5K9B
 
 | | Azotobacter vinelandii Flavodoxin II | | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin-2, MAGNESIUM ION | | Authors: | Rees, D.C, Segal, H.M, Spatzal, T. | | Deposit date: | 2016-05-31 | | Release date: | 2017-08-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.174 Å) | | Cite: | Electrochemical and structural characterization of Azotobacter vinelandii flavodoxin II.
Protein Sci., 26, 2017
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407D
 | | STRUCTURAL BASIS FOR RECOGNITION OF A-T AND T-A BASE PAIRS IN THE MINOR GROOVE OF B-DNA | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(*CP*CP*AP*GP*TP*AP*CP*TP*GP*G)-3'), ~{N}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide | | Authors: | Rees, D.C. | | Deposit date: | 1998-06-24 | | Release date: | 1998-10-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A structural basis for recognition of A.T and T.A base pairs in the minor groove of B-DNA.
Science, 282, 1998
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2OAR
 | | Mechanosensitive Channel of Large Conductance (MscL) | | Descriptor: | GOLD ION, Large-conductance mechanosensitive channel | | Authors: | Rees, D.C, Chang, G, Spencer, R.H, Lee, A.T, Steinbacher, S, Strop, P. | | Deposit date: | 2006-12-17 | | Release date: | 2007-01-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structures of the Prokaryotic Mechanosensitive Channels MscL and MscS
Current Topics in Membranes, 58, 2007
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2OAU
 | | Mechanosensitive Channel of Small Conductance (MscS) | | Descriptor: | Small-conductance mechanosensitive channel | | Authors: | Rees, D.C, Bass, R.B, Steinbacher, S, Strop, P, Barclay, M.T. | | Deposit date: | 2006-12-17 | | Release date: | 2007-01-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structures of the Prokaryotic Mechanosensitive Channels MscL and MscS
CURRENT TOPICS IN MEMBRANES, 58, 2007
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3DHW
 | | Crystal structure of methionine importer MetNI | | Descriptor: | D-methionine transport system permease protein metI, Methionine import ATP-binding protein metN | | Authors: | Rees, D.C, Kaiser, J.T, Kadaba, N.S, Johnson, E, Lee, A.T. | | Deposit date: | 2008-06-18 | | Release date: | 2008-08-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | The high-affinity E. coli methionine ABC transporter: structure and allosteric regulation.
Science, 321, 2008
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3MIN
 | | NITROGENASE MOFE PROTEIN FROM AZOTOBACTER VINELANDII, OXIDIZED STATE | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Peters, J.W, Stowell, M.H.B, Soltis, S.M, Day, M.W, Kim, J, Rees, D.C. | | Deposit date: | 1996-12-20 | | Release date: | 1997-04-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Redox-dependent structural changes in the nitrogenase P-cluster.
Biochemistry, 36, 1997
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6DZX
 | | Crystal structure of the N. meningitides methionine-binding protein in its D-methionine bound conformation. | | Descriptor: | D-METHIONINE, Lipoprotein | | Authors: | Nguyen, P.T, Lai, J.Y, Kaiser, J.T, Rees, D.C. | | Deposit date: | 2018-07-05 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.678 Å) | | Cite: | Structures of the Neisseria meningitides methionine-binding protein MetQ in substrate-free form and bound to l- and d-methionine isomers.
Protein Sci., 28, 2019
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1N2Z
 | | 2.0 Angstrom structure of BtuF, the vitamin B12 binding protein of E. coli | | Descriptor: | CADMIUM ION, CHLORIDE ION, CYANOCOBALAMIN, ... | | Authors: | Borths, E.L, Locher, K.P, Lee, A.T, Rees, D.C. | | Deposit date: | 2002-10-24 | | Release date: | 2002-12-18 | | Last modified: | 2021-08-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structure of Escherichia coli BtuF and binding to its cognate ATP binding cassette transporter
Proc.Natl.Acad.Sci.USA, 99, 2002
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5VPW
 | | Nitrogenase Cp1 at pH 5 | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (II) ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Morrison, C.N, Spatzal, T, Rees, D.C. | | Deposit date: | 2017-05-05 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Reversible Protonated Resting State of the Nitrogenase Active Site.
J. Am. Chem. Soc., 139, 2017
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5VQ4
 | | Nitrogenase Av1 at pH 5 | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Morrison, C.N, Spatzal, T, Rees, D.C. | | Deposit date: | 2017-05-07 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Reversible Protonated Resting State of the Nitrogenase Active Site.
J. Am. Chem. Soc., 139, 2017
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5VQ3
 | | Nitrogenase Cp1 at pH 6.5 | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (II) ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Morrison, C.N, Spatzal, T, Rees, D.C. | | Deposit date: | 2017-05-07 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Reversible Protonated Resting State of the Nitrogenase Active Site.
J. Am. Chem. Soc., 139, 2017
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4PKX
 | | The structure of a conserved Piezo channel domain reveals a novel beta sandwich fold | | Descriptor: | Protein C10C5.1, isoform i | | Authors: | Kamajaya, A, Kaiser, J, Lee, J, Reid, M, Rees, D.C. | | Deposit date: | 2014-05-15 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | The Structure of a Conserved Piezo Channel Domain Reveals a Topologically Distinct beta Sandwich Fold.
Structure, 22, 2014
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4PKE
 | | The structure of a conserved Piezo channel domain reveals a novel beta sandwich fold | | Descriptor: | PLATINUM (II) ION, Protein C10C5.1, isoform i | | Authors: | Kamajaya, A, Kaiser, J, Lee, J, Reid, M, Rees, D.C. | | Deposit date: | 2014-05-14 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Structure of a Conserved Piezo Channel Domain Reveals a Topologically Distinct beta Sandwich Fold.
Structure, 22, 2014
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6CTD
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6CVA
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6CVL
 | | Crystal structure of the Escherichia coli ATPgS-bound MetNI methionine ABC transporter in complex with its MetQ binding protein | | Descriptor: | IODIDE ION, MERCURY (II) ION, MetI transmembrane subunit, ... | | Authors: | Nguyen, P.T, Kaiser, J.T, Rees, D.C. | | Deposit date: | 2018-03-28 | | Release date: | 2018-11-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.953 Å) | | Cite: | Noncanonical role for the binding protein in substrate uptake by the MetNI methionine ATP Binding Cassette (ABC) transporter.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8CRS
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7S7V
 | | Crystal structure of iNicSnFR3a Fluorescent Nicotine Sensor | | Descriptor: | iNicSnFR 3.0 Fluorescent Nicotine Sensor | | Authors: | Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C. | | Deposit date: | 2021-09-17 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands.
Elife, 11, 2022
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7S7T
 | | iNicSnFR3a Nicotine Sensor comprising Periplasmic Binding sequence plus Fluorescent Sequence with varenicline bound | | Descriptor: | IODIDE ION, VARENICLINE, iNicSnFR 3.0 Fluorescent Nicotine Sensor | | Authors: | Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C. | | Deposit date: | 2021-09-17 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands.
Elife, 11, 2022
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7S7U
 | | Crystal structure of iNicSnFR3a Fluorescent Nicotine Sensor with nicotine bound | | Descriptor: | iNicSnFR 3.0 Fluorescent Nicotine Sensor | | Authors: | Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C. | | Deposit date: | 2021-09-17 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands.
Elife, 11, 2022
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4UMV
 | | CRYSTAL STRUCTURE OF A ZINC-TRANSPORTING PIB-TYPE ATPASE IN THE E2P STATE | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ZINC-TRANSPORTING ATPASE | | Authors: | Wang, K.T, Sitsel, O, Meloni, G, Autzen, H.E, Andersson, M, Klymchuk, T, Nielsen, A.M, Rees, D.C, Nissen, P, Gourdon, P. | | Deposit date: | 2014-05-21 | | Release date: | 2014-08-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure and Mechanism of Zn(2+)-Transporting P-Type Atpases.
Nature, 514, 2014
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4UMW
 | | CRYSTAL STRUCTURE OF A ZINC-TRANSPORTING PIB-TYPE ATPASE IN E2.PI STATE | | Descriptor: | MAGNESIUM ION, TETRAFLUOROALUMINATE ION, ZINC-TRANSPORTING ATPASE | | Authors: | Wang, K.T, Sitsel, O, Meloni, G, Autzen, H.E, Andersson, M, Klymchuk, T, Nielsen, A.M, Rees, D.C, Nissen, P, Gourdon, P. | | Deposit date: | 2014-05-21 | | Release date: | 2014-08-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.705 Å) | | Cite: | Structure and Mechanism of Zn(2+)-Transporting P-Type Atpases.
Nature, 514, 2014
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4UMT
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium, DIMETHYL SULFOXIDE, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-21 | | Release date: | 2014-10-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase.
Acs Med.Chem.Lett., 6, 2015
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4UMP
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 3-(isoquinolin-7-yl)prop-2-yn-1-ol, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-20 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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4UMQ
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-20 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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