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3UPX
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BU of 3upx by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1300
Descriptor: Calmodulin-domain protein kinase 1, [2-amino-1-(piperidin-4-ylmethyl)-1H-benzimidazol-6-yl](phenyl)methanone
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-18
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
5I7F
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BU of 5i7f by Molmil
Crystal structure of B. pseudomallei FabI in complex with NAD and PT405
Descriptor: 5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Eltschkner, S, Tonge, P.J, Kisker, C.
Deposit date:2016-02-17
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
5I5F
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BU of 5i5f by Molmil
Salmonella global domain 191
Descriptor: Inner membrane protein YejM
Authors:Dong, C, Dong, H.
Deposit date:2016-02-15
Release date:2016-08-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria.
Sci Rep, 6, 2016
5I9N
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BU of 5i9n by Molmil
Crystal structure of B. pseudomallei FabI in complex with NAD and PT412
Descriptor: 5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
Deposit date:2016-02-20
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.512 Å)
Cite:Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
8G38
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BU of 8g38 by Molmil
Time-resolved cryo-EM study of the 70S recycling by the HflX:3rd Intermediate
Descriptor: 16S, 23S, 30S ribosomal protein S10, ...
Authors:Bhattacharjee, S, Brown, P.Z, Frank, J.
Deposit date:2023-02-07
Release date:2023-12-06
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Time resolution in cryo-EM using a PDMS-based microfluidic chip assembly and its application to the study of HflX-mediated ribosome recycling.
Cell, 187, 2024
8G2U
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BU of 8g2u by Molmil
Time-resolved cryo-EM study of the 70S recycling by the HflX:control-apo-70S at 900ms
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Bhattacharjee, S, Brown, P.Z, Frank, J.
Deposit date:2023-02-06
Release date:2023-12-06
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Time resolution in cryo-EM using a PDMS-based microfluidic chip assembly and its application to the study of HflX-mediated ribosome recycling.
Cell, 187, 2024
8G31
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BU of 8g31 by Molmil
Time-resolved cryo-EM study of the 70S recycling by the HflX:2nd Intermediate
Descriptor: 16S, 23S, 30S ribosomal protein S10, ...
Authors:Bhattacharjee, S, Brown, P.Z, Frank, J.
Deposit date:2023-02-06
Release date:2023-12-06
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Time resolution in cryo-EM using a PDMS-based microfluidic chip assembly and its application to the study of HflX-mediated ribosome recycling.
Cell, 187, 2024
8G34
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BU of 8g34 by Molmil
Time-resolved cryo-EM study of the 70S recycling by the HflX:1st intermediate
Descriptor: 16S, 23S, 30S ribosomal protein S10, ...
Authors:Bhattacharjee, S, Brown, P.Z, Frank, J.
Deposit date:2023-02-06
Release date:2023-12-06
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Time resolution in cryo-EM using a PDMS-based microfluidic chip assembly and its application to the study of HflX-mediated ribosome recycling.
Cell, 187, 2024
8IDE
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BU of 8ide by Molmil
Structure of an ancient TsaD-TsaC-SUA5-TcdA modular enzyme (TsaN)
Descriptor: MANGANESE (II) ION, N(6)-L-threonylcarbamoyladenine synthase
Authors:Zhang, Z.L, Jin, M.Q, Yu, Z.J, Chen, W, Wang, X.L, Lei, D.S, Zhang, W.H.
Deposit date:2023-02-13
Release date:2023-07-26
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structure-function analysis of an ancient TsaD-TsaC-SUA5-TcdA modular enzyme reveals a prototype of tRNA t6A and ct6A synthetases.
Nucleic Acids Res., 51, 2023
5I5H
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BU of 5i5h by Molmil
Ecoli global domain 245-586
Descriptor: Inner membrane protein YejM
Authors:Dong, C, Dong, H.
Deposit date:2016-02-15
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria.
Sci Rep, 6, 2016
5I9M
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BU of 5i9m by Molmil
Crystal structure of B. pseudomallei FabI in complex with NAD and PT408
Descriptor: 5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
Deposit date:2016-02-20
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
3C6H
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BU of 3c6h by Molmil
Crystal Structure of the RB49 gp17 nuclease domain
Descriptor: MAGNESIUM ION, Terminase large subunit
Authors:Sun, S, Rossmann, M.G.
Deposit date:2008-02-04
Release date:2009-01-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of the phage T4 DNA packaging motor suggests a mechanism dependent on electrostatic forces.
Cell(Cambridge,Mass.), 135, 2008
7D3Y
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BU of 7d3y by Molmil
Crystal structure of the osPHR2-osSPX2 complex
Descriptor: INOSITOL HEXAKISPHOSPHATE, Protein PHOSPHATE STARVATION RESPONSE 2, SPX domain-containing protein 2,Isoform 1 of Core histone macro-H2A.1
Authors:Zhang, Q.X, Guan, Z.Y, Zuo, J.Q, Zhang, Z.F, Liu, Z.
Deposit date:2020-09-21
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Mechanistic insights into the regulation of plant phosphate homeostasis by the rice SPX2 - PHR2 complex.
Nat Commun, 13, 2022
7D3T
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BU of 7d3t by Molmil
Crystal structure of OSPHR2 in complex with DNA
Descriptor: DNA (5'-D(P*CP*TP*CP*GP*GP*AP*TP*AP*TP*CP*CP*TP*CP*AP*AP*G)-3'), DNA (5'-D(P*GP*CP*TP*TP*GP*AP*GP*GP*AP*TP*AP*TP*CP*CP*GP*A)-3'), Protein PHOSPHATE STARVATION RESPONSE 2
Authors:Guan, Z.Y, Zhang, Z.F, Liu, Z.
Deposit date:2020-09-20
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanistic insights into the regulation of plant phosphate homeostasis by the rice SPX2 - PHR2 complex.
Nat Commun, 13, 2022
3CPE
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BU of 3cpe by Molmil
Crystal Structure of T4 gp17
Descriptor: DNA packaging protein Gp17, PHOSPHATE ION, SODIUM ION
Authors:Sun, S, Rossmann, M.G.
Deposit date:2008-03-31
Release date:2009-01-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of the phage T4 DNA packaging motor suggests a mechanism dependent on electrostatic forces
Cell(Cambridge,Mass.), 135, 2008
5K0S
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BU of 5k0s by Molmil
Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis in complex with inhibitor Chem 1312
Descriptor: 2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1H)-one, Methionine--tRNA ligase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-05-17
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Brucella melitensis Methionyl-tRNA-Synthetase (MetRS), a Potential Drug Target for Brucellosis.
Plos One, 11, 2016
3DWS
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BU of 3dws by Molmil
Leishmania major Coproporphyrinogen III Oxidase with bound ligand
Descriptor: 5-fluoroindole-2-carboxylic acid, ACETATE ION, Coproporphyrinogen III oxidase
Authors:Le Trong, I, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2008-07-22
Release date:2008-09-09
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Leishmania major Coproporphyrinogen III Oxidase with bound ligand
To be Published
3UQF
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BU of 3uqf by Molmil
c-SRC kinase domain in complex with BKI RM-1-89
Descriptor: 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-20
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
2H4M
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BU of 2h4m by Molmil
Karyopherin Beta2/Transportin-M9NLS
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, Transportin-1
Authors:Chook, Y.M, Cansizoglu, A.E.
Deposit date:2006-05-24
Release date:2006-10-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Rules for nuclear localization sequence recognition by karyopherin beta 2.
Cell(Cambridge,Mass.), 126, 2006
3EZK
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BU of 3ezk by Molmil
Bacteriophage T4 gp17 motor assembly based on crystal structures and cryo-EM reconstructions
Descriptor: DNA packaging protein Gp17
Authors:Sun, S, Rossmann, M.G.
Deposit date:2008-10-23
Release date:2009-01-13
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (34 Å)
Cite:The structure of the phage T4 DNA packaging motor suggests a mechanism dependent on electrostatic forces.
Cell(Cambridge,Mass.), 135, 2008
4JAN
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BU of 4jan by Molmil
crystal structure of broadly neutralizing antibody CH103 in complex with HIV-1 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ...
Authors:Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D.
Deposit date:2013-02-18
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus.
Nature, 496, 2013
7UYA
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BU of 7uya by Molmil
Inhibitor bound VIM1
Descriptor: (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION
Authors:Fischmann, T.O, Scapin, G.
Deposit date:2022-05-06
Release date:2023-05-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
7UYD
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BU of 7uyd by Molmil
Inhibitor bound VIM1
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
Authors:Fischmann, T.O, Scapin, G.
Deposit date:2022-05-06
Release date:2023-05-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
7UYB
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BU of 7uyb by Molmil
Inhibitor bound VIM1
Descriptor: (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION
Authors:Fischmann, T.O, Scapin, G.
Deposit date:2022-05-06
Release date:2023-05-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
7UYC
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BU of 7uyc by Molmil
Inhibitor bound VIM1
Descriptor: (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ...
Authors:Fischmann, T.O, Scapin, G.
Deposit date:2022-05-06
Release date:2023-05-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024

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PDB entries from 2024-07-31

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