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4CPA
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BU of 4cpa by Molmil
REFINED CRYSTAL STRUCTURE OF THE POTATO INHIBITOR COMPLEX OF CARBOXYPEPTIDASE A AT 2.5 ANGSTROMS RESOLUTION
Descriptor: CARBOXYPEPTIDASE A, GLYCINE, METALLOCARBOXYPEPTIDASE INHIBITOR, ...
Authors:Lipscomb, W.N, Rees, D.C.
Deposit date:1982-03-24
Release date:1982-07-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Refined crystal structure of the potato inhibitor complex of carboxypeptidase A at 2.5 A resolution.
J.Mol.Biol., 160, 1982
5K9B
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BU of 5k9b by Molmil
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
407D
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BU of 407d by Molmil
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
2OAU
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BU of 2oau by Molmil
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
2OAR
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BU of 2oar by Molmil
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
3DHW
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BU of 3dhw by Molmil
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
4RCR
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BU of 4rcr by Molmil
STRUCTURE OF THE REACTION CENTER FROM RHODOBACTER SPHAEROIDES R-26 AND 2.4.1: PROTEIN-COFACTOR (BACTERIOCHLOROPHYLL, BACTERIOPHEOPHYTIN, AND CAROTENOID) INTERACTIONS
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
Authors:Komiya, H, Yeates, T.O, Chirino, A.J, Rees, D.C, Allen, J.P, Feher, G.
Deposit date:1991-09-09
Release date:1993-10-31
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the reaction center from Rhodobacter sphaeroides R-26 and 2.4.1: protein-cofactor (bacteriochlorophyll, bacteriopheophytin, and carotenoid) interactions.
Proc.Natl.Acad.Sci.USA, 85, 1988
3MIN
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BU of 3min by Molmil
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
1CVY
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BU of 1cvy by Molmil
CRYSTAL STRUCTURE OF POLYAMIDE DIMER (IMPYPYPYBETADP)2 BOUND TO CCAGATCTGG
Descriptor: 5'-D(*CP*CP*AP*GP*AP*TP*CP*TP*GP*G)-3', IMIDAZOLE-PYRROLE POLYAMIDE
Authors:Kielkopf, C.L, Bremer, R.E, White, S, Baird, E.E, Dervan, P.B, Rees, D.C.
Deposit date:1999-08-24
Release date:2000-01-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural effects of DNA sequence on T.A recognition by hydroxypyrrole/pyrrole pairs in the minor groove.
J.Mol.Biol., 295, 2000
1D8G
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BU of 1d8g by Molmil
ULTRAHIGH RESOLUTION CRYSTAL STRUCTURE OF B-DNA DECAMER D(CCAGTACTGG)
Descriptor: 5'-D(*CP*CP*AP*GP*TP*AP*CP*TP*GP*GP*)-3', CALCIUM ION
Authors:Kielkopf, C.L, Ding, S, Kuhn, P, Rees, D.C.
Deposit date:1999-10-23
Release date:2000-02-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.74 Å)
Cite:Conformational flexibility of B-DNA at 0.74 A resolution: d(CCAGTACTGG)(2).
J.Mol.Biol., 296, 2000
6CVL
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BU of 6cvl by Molmil
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
6CTD
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BU of 6ctd by Molmil
C-terminal domain truncation of the Mycobacterium tuberculosis Mechanosensitive Channel of Large Conductance MscL
Descriptor: GOLD ION, Large-conductance mechanosensitive channel
Authors:Herrera, N, Rees, D.C.
Deposit date:2018-03-22
Release date:2018-10-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (5.8 Å)
Cite:Elucidating a role for the cytoplasmic domain in the Mycobacterium tuberculosis mechanosensitive channel of large conductance.
Sci Rep, 8, 2018
4WES
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BU of 4wes by Molmil
Nitrogenase molybdenum-iron protein from Clostridium pasteurianum at 1.08 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (II) ION, ...
Authors:Zhang, L.M, Morrison, C.N, Kaiser, J.T, Rees, D.C.
Deposit date:2014-09-10
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Nitrogenase MoFe protein from Clostridium pasteurianum at 1.08 angstrom resolution: comparison with the Azotobacter vinelandii MoFe protein.
Acta Crystallogr.,Sect.D, 71, 2015
4WZB
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BU of 4wzb by Molmil
Crystal Structure of MgAMPPCP-bound Av2-Av1 complex
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (II) ION, FE(8)-S(7) CLUSTER, ...
Authors:Tezcan, F.A, Kaiser, J.T, Mustafi, D, Walton, M.Y, Howard, J.B, Rees, D.C.
Deposit date:2014-11-19
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Nitrogenase complexes: multiple docking sites for a nucleotide switch protein.
Science, 309, 2005
7S7V
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BU of 7s7v by Molmil
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:2024-11-20
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
7S7T
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BU of 7s7t by Molmil
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:2024-11-13
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
7S7U
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BU of 7s7u by Molmil
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:2024-10-16
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
6V1R
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BU of 6v1r by Molmil
Crystal structure of iAChSnFR Fluorescent Acetylcholine Sensor precursor binding protein
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ACETYLCHOLINE, DI(HYDROXYETHYL)ETHER, ...
Authors:Fan, C, Borden, P.M, Looger, L.L, Lester, H.A, Rees, D.C.
Deposit date:2019-11-21
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A genetically encoded fluorescent sensor for in vivo acetylcholine detection
To Be Published
6PAM
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BU of 6pam by Molmil
Structure of a bacterial Atm1-family ABC transporter with MgADP bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATM1-type heavy metal exporter, MAGNESIUM ION
Authors:Fan, C, Kaiser, J.T, Rees, D.C.
Deposit date:2019-06-11
Release date:2020-06-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:A structural framework for unidirectional transport by a bacterial ABC exporter.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PAN
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BU of 6pan by Molmil
Structure of a bacterial Atm1-family ABC exporter with ATP bound
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATM1-type heavy metal exporter
Authors:Fan, C, Kaiser, J.T, Rees, D.C.
Deposit date:2019-06-11
Release date:2020-06-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:A structural framework for unidirectional transport by a bacterial ABC exporter.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PAQ
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BU of 6paq by Molmil
Structure of a bacterial Atm1-family ABC exporter with ATP bound
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATM1-type heavy metal exporter
Authors:Fan, C, Kaiser, J.T, Rees, D.C.
Deposit date:2019-06-11
Release date:2020-06-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.301 Å)
Cite:A structural framework for unidirectional transport by a bacterial ABC exporter.
Proc.Natl.Acad.Sci.USA, 117, 2020
4D2W
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BU of 4d2w by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide, 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:2014-05-13
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4D2V
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BU of 4d2v by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, 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:2014-05-13
Release date:2014-10-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4D2T
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BU of 4d2t by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 3-[2-(phenylcarbamoyl)-5-(1H-pyrazol-4-yl)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:2014-05-13
Release date:2014-10-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4D2P
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BU of 4d2p by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 7-({4-[(3-hydroxy-5-methoxyphenyl)amino]benzoyl}amino)-1,2,3,4-tetrahydroisoquinolinium, 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:2014-05-12
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.55 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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