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3SCF
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BU of 3scf by Molmil
Fe(II)-HppE with S-HPP and NO
Descriptor: (S)-2-HYDROXYPROPYLPHOSPHONIC ACID, Epoxidase, FE (II) ION, ...
Authors:Drennan, C.L.
Deposit date:2011-06-07
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis of regiospecificity of a mononuclear iron enzyme in antibiotic fosfomycin biosynthesis.
J.Am.Chem.Soc., 133, 2011
4UFT
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BU of 4uft by Molmil
Structure of the helical Measles virus nucleocapsid
Descriptor: 5'-R(*CP*CP*CP*CP*CP*CP)-3', NUCLEOPROTEIN
Authors:Gutsche, I, Desfosses, A, Effantin, G, Ling, W.L, Haupt, M, Ruigrok, R.W.H, Sachse, C, Schoehn, G.
Deposit date:2015-03-19
Release date:2015-04-29
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Near-Atomic Cryo-Em Structure of the Helical Measles Virus Nucleocapsid.
Science, 348, 2015
7RTY
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BU of 7rty by Molmil
Crystal Structure of PsfC from Pseudomonas syringae PB-5123
Descriptor: FE (II) ION, PsfC
Authors:Ongpipattanakul, C, Nair, S.K.
Deposit date:2021-08-16
Release date:2021-09-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.963 Å)
Cite:Biosynthesis of fosfomycin in pseudomonads reveals an unexpected enzymatic activity in the metallohydrolase superfamily.
Proc.Natl.Acad.Sci.USA, 118, 2021
3A06
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BU of 3a06 by Molmil
Crystal structure of DXR from Thermooga maritia, in complex with fosmidomycin and NADPH
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MAGNESIUM ION, ...
Authors:Takenoya, M, Ohtaki, A, Noguchi, K, Sasaki, Y, Ohsawa, K, Yohda, M, Yajima, S.
Deposit date:2009-03-02
Release date:2010-03-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of 1-deoxy-d-xylulose 5-phosphate reductoisomerase from the hyperthermophile Thermotoga maritima for insights into the coordination of conformational changes and an inhibitor binding
J.Struct.Biol., 170, 2010
8ZXX
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BU of 8zxx by Molmil
PfDXR - Mn2+ - NADPH - TAKK442 quaternary complex
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, GLYCEROL, ...
Authors:Tanaka, N, Takada, S, Sakamoto, Y.
Deposit date:2024-06-15
Release date:2025-05-21
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Expanding the Chemical Space of Reverse Fosmidomycin Analogs.
Acs Med.Chem.Lett., 16, 2025
5ZDN
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BU of 5zdn by Molmil
The complex structure of FomD with CDP
Descriptor: CYTIDINE-5'-DIPHOSPHATE, FomD, GLYCEROL, ...
Authors:Sato, S, Miyanaga, A, Kudo, F, Eguchi, T.
Deposit date:2018-02-23
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Biochemical and Structural Analysis of FomD That Catalyzes the Hydrolysis of Cytidylyl ( S)-2-Hydroxypropylphosphonate in Fosfomycin Biosynthesis.
Biochemistry, 57, 2018
5ZDM
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BU of 5zdm by Molmil
The ligand-free structure of FomD
Descriptor: CALCIUM ION, FomD, GLYCEROL
Authors:Sato, S, Miyanaga, A, Kudo, F, Eguchi, T.
Deposit date:2018-02-23
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Biochemical and Structural Analysis of FomD That Catalyzes the Hydrolysis of Cytidylyl ( S)-2-Hydroxypropylphosphonate in Fosfomycin Biosynthesis.
Biochemistry, 57, 2018
9BU5
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BU of 9bu5 by Molmil
CC ProXp-ala apo solution structure
Descriptor: DNA-binding protein, putative
Authors:Duran, A.D, Foster, M.P.
Deposit date:2024-05-16
Release date:2024-10-16
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:NMR-based solution structure of the Caulobacter crescentus ProXp-ala trans-editing enzyme.
Biomol.Nmr Assign., 18, 2024
4AIC
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BU of 4aic by Molmil
X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with fosmidomycin, manganese and NADPH
Descriptor: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ...
Authors:Henriksson, L.M, Unge, T, Jones, T.A, Mowbray, S.L.
Deposit date:2012-02-09
Release date:2012-02-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structures of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose- 5-Phosphate Reductoisomerase Provide New Insights Into Catalysis.
J.Biol.Chem., 282, 2007
9BE7
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BU of 9be7 by Molmil
Alkalihalobacillus halodurans (Aha) trp RNA binding attenuation protein (TRAP) mutant dTRAP without Trp
Descriptor: Transcription attenuation protein MtrB
Authors:Yang, H, Stachowski, K, Foster, M.
Deposit date:2024-04-15
Release date:2025-01-22
Method:ELECTRON MICROSCOPY (4.24 Å)
Cite:Structural basis of nearest-neighbor cooperativity in the ring-shaped gene regulatory protein TRAP from protein engineering and cryo-EM.
Proc.Natl.Acad.Sci.USA, 122, 2025
9BE8
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BU of 9be8 by Molmil
Alkalihalobacillus halodurans (Aha) trp RNA binding attenuation protein (TRAP) mutant T49A/T52A dTRAP with Trp
Descriptor: TRYPTOPHAN, Transcription attenuation protein MtrB
Authors:Yang, H, Stachowski, K, Foster, M.
Deposit date:2024-04-15
Release date:2025-01-22
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (4.14 Å)
Cite:Structural basis of nearest-neighbor cooperativity in the ring-shaped gene regulatory protein TRAP from protein engineering and cryo-EM.
Proc.Natl.Acad.Sci.USA, 122, 2025
9BDS
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BU of 9bds by Molmil
Alkalihalobacillus halodurans (Aha) trp RNA binding attenuation protein (TRAP) mutant dTRAP with Trp
Descriptor: TRYPTOPHAN, Transcription attenuation protein MtrB
Authors:Yang, H, Stachowski, K, Foster, M.
Deposit date:2024-04-12
Release date:2025-01-22
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of nearest-neighbor cooperativity in the ring-shaped gene regulatory protein TRAP from protein engineering and cryo-EM.
Proc.Natl.Acad.Sci.USA, 122, 2025
5NUG
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BU of 5nug by Molmil
Motor domains from human cytoplasmic dynein-1 in the phi-particle conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1, ...
Authors:Zhang, K, Foster, H.E, Carter, A.P.
Deposit date:2017-04-30
Release date:2017-06-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM Reveals How Human Cytoplasmic Dynein Is Auto-inhibited and Activated.
Cell, 169, 2017
5I3U
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BU of 5i3u by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE N-SITE COMPLEX; CATALYTIC INCORPORATION OF AZTMP to A DNA aptamer in CRYSTAL
Descriptor: DNA (39-MER), GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, ...
Authors:Das, K, Arnold, E.
Deposit date:2016-02-11
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet.
Acs Chem.Biol., 11, 2016
5NVU
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BU of 5nvu by Molmil
Full length human cytoplasmic dynein-1 in the phi-particle conformation
Descriptor: Dynein intermediate chain, Dynein light intermediate chain, Dynein motor domain, ...
Authors:Zhang, K, Foster, H.E, Carter, A.P.
Deposit date:2017-05-04
Release date:2017-08-09
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (15 Å)
Cite:Cryo-EM Reveals How Human Cytoplasmic Dynein Is Auto-inhibited and Activated.
Cell, 169, 2017
5NVS
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BU of 5nvs by Molmil
Human cytoplasmic dynein-1 tail in the twisted N-terminus state
Descriptor: LC8, N-terminal dimerization domain, Robl, ...
Authors:Zhang, K, Foster, H.E, Carter, A.P.
Deposit date:2017-05-04
Release date:2017-06-28
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (8.4 Å)
Cite:Cryo-EM Reveals How Human Cytoplasmic Dynein Is Auto-inhibited and Activated.
Cell, 169, 2017
5NW4
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BU of 5nw4 by Molmil
Human cytoplasmic dynein-1 bound to dynactin and an N-terminal construct of BICD2
Descriptor: Arp1, Arp11, BICD2N, ...
Authors:Zhang, K, Foster, H.E, Carter, A.P.
Deposit date:2017-05-05
Release date:2017-08-02
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (8.7 Å)
Cite:Cryo-EM Reveals How Human Cytoplasmic Dynein Is Auto-inhibited and Activated.
Cell, 169, 2017
6ZGZ
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BU of 6zgz by Molmil
Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, beta-D-galactopyranose, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2020-06-20
Release date:2020-07-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
6ZGX
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BU of 6zgx by Molmil
Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide
Descriptor: 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2020-06-20
Release date:2020-07-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
6ZGY
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BU of 6zgy by Molmil
Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide
Descriptor: (2,5-dimethylphenyl) pyridine-4-carboxylate, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2020-06-20
Release date:2020-07-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
5I42
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BU of 5i42 by Molmil
Structure of HIV-1 Reverse Transcriptase in complex with a DNA aptamer, AZTTP, and CA(2+) ion
Descriptor: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (38-MER), ...
Authors:Das, K, Arnold, E.
Deposit date:2016-02-11
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet.
Acs Chem.Biol., 11, 2016
5HRO
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BU of 5hro by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE In COMPLEX WITH A DNA aptamer and an Alpha-carboxy nucleoside phosphonate inhibitor (alpha-CNP)
Descriptor: DNA (38-MER), HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT, ...
Authors:Das, K, Arnold, E.
Deposit date:2016-01-23
Release date:2016-06-01
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet.
Acs Chem.Biol., 11, 2016
3WQQ
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BU of 3wqq by Molmil
Crystal structure of PfDXR complexed with inhibitor-3
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CALCIUM ION, ...
Authors:Tanaka, N, Umeda, T.
Deposit date:2014-01-31
Release date:2014-11-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Binding Modes of Reverse Fosmidomycin Analogs toward the Antimalarial Target IspC.
J.Med.Chem., 57, 2014
3WQS
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BU of 3wqs by Molmil
Crystal structure of pfdxr complexed with inhibitor-126
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MAGNESIUM ION, ...
Authors:Tanaka, N, Umeda, T.
Deposit date:2014-01-31
Release date:2014-11-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Binding Modes of Reverse Fosmidomycin Analogs toward the Antimalarial Target IspC.
J.Med.Chem., 57, 2014
3AUA
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BU of 3aua by Molmil
Crystal structure of the quaternary complex-2 of an isomerase
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[ethanoyl(hydroxy)amino]propylphosphonic acid, CALCIUM ION, ...
Authors:Umeda, T, Tanaka, N, Kusakabe, Y, Nakanishi, M, Kitade, Y, Nakamura, K.T.
Deposit date:2011-02-01
Release date:2011-08-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Molecular basis of fosmidomycin's action on the human malaria parasite Plasmodium falciparum
Sci Rep, 1, 2011

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