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7DB8
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BU of 7db8 by Molmil
Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase in complex with compound PF-3845
Descriptor: N-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, ...
Authors:Xu, M, Zhang, X, Xu, L, Chen, S.
Deposit date:2020-10-19
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis .
J.Biol.Chem., 2021
7E40
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BU of 7e40 by Molmil
Mechanism of Phosphate Sensing and Signaling Revealed by Rice SPX1-PHR2 Complex Structure
Descriptor: INOSITOL HEXAKISPHOSPHATE, Protein PHOSPHATE STARVATION RESPONSE 2, SPX domain-containing protein 1,Endolysin
Authors:Zhou, J, Hu, Q, Yao, D, Xing, W.
Deposit date:2021-02-09
Release date:2021-11-10
Last modified:2021-12-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mechanism of phosphate sensing and signaling revealed by rice SPX1-PHR2 complex structure.
Nat Commun, 12, 2021
2GYD
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BU of 2gyd by Molmil
Complex of equine apoferritin with the H-diaziflurane photolabeling reagent
Descriptor: 2-(1,1-DIFLUOROETHOXY)-1,1,1-TRIFLUOROETHANE, CADMIUM ION, ferritin L subunit
Authors:Loll, P.J, Rossi, M.J, Eckenhoff, R.
Deposit date:2006-05-09
Release date:2006-06-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Photoactive analogues of the haloether anesthetics provide high-resolution features from low-affinity interactions.
Acs Chem.Biol., 1, 2006
7BZJ
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BU of 7bzj by Molmil
The Discovery of Benzhydrol-Oxaborole Hybrid Derivatives as Leucyl-tRNA Synthetase Inhibitors
Descriptor: Leucine--tRNA ligase, [(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium
Authors:Liu, R.J, Li, H, Wang, E.D, Zhou, H.
Deposit date:2020-04-28
Release date:2020-12-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of benzhydrol-oxaborole derivatives as Streptococcus pneumoniae leucyl-tRNA synthetase inhibitors.
Bioorg.Med.Chem., 29, 2021
7YTJ
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BU of 7ytj by Molmil
Cryo-EM structure of VTC complex
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, INOSITOL HEXAKISPHOSPHATE, PHOSPHATE ION, ...
Authors:Guan, Z.Y, Chen, J, Liu, R.W, Chen, Y.K, Xing, Q, Du, Z.M, Liu, Z.
Deposit date:2022-08-15
Release date:2023-02-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The cytoplasmic synthesis and coupled membrane translocation of eukaryotic polyphosphate by signal-activated VTC complex.
Nat Commun, 14, 2023
5WQN
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BU of 5wqn by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 (condition II)
Descriptor: Probable dehydrogenase
Authors:Li, S, Wang, Y, Bartlam, M.
Deposit date:2016-11-27
Release date:2017-10-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
5WQO
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BU of 5wqo by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition I)
Descriptor: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable dehydrogenase, ...
Authors:Li, S, Wang, Y, Bartlam, M.
Deposit date:2016-11-27
Release date:2017-10-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
5WQM
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BU of 5wqm by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 (condition I)
Descriptor: Probable dehydrogenase, SODIUM ION
Authors:Li, S, Wang, Y, Bartlam, M.
Deposit date:2016-11-27
Release date:2018-07-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
5WQP
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BU of 5wqp by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition II)
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICOTINAMIDE, PHOSPHATE ION, ...
Authors:Li, S, Wang, Y, Bartlam, M.
Deposit date:2016-11-27
Release date:2017-10-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
3LA1
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BU of 3la1 by Molmil
High resolution crystal structure of CyPet mutant A167I
Descriptor: Green fluorescent protein, SODIUM ION
Authors:Hu, X.
Deposit date:2010-01-06
Release date:2011-01-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Crystal Structure of CyPet
To be Published
5CI9
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BU of 5ci9 by Molmil
Crystal structure of human Tob in complex with inhibitor fragment 6
Descriptor: 1-(propan-2-yl)-1H-benzimidazole-5-carboxylic acid, Protein Tob1, SODIUM ION
Authors:Bai, Y, Tashiro, S, Nagatoishi, S, Suzuki, T, Tsumoto, K, Bartlam, M, Yamamoto, T.
Deposit date:2015-07-11
Release date:2015-11-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for inhibition of the Tob-CNOT7 interaction by a fragment screening approach
Protein Cell, 6, 2015
5CI8
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BU of 5ci8 by Molmil
Crystal structure of human Tob in complex with inhibitor fragment 1
Descriptor: Protein Tob1, pyrrolo[1,2-a]quinoxalin-4(5H)-one
Authors:Bai, Y, Tashiro, S, Nagatoishi, S, Suzuki, T, Tsumoto, K, Bartlam, M, Yamamoto, T.
Deposit date:2015-07-11
Release date:2015-11-18
Last modified:2015-12-09
Method:X-RAY DIFFRACTION (2.328 Å)
Cite:Structural basis for inhibition of the Tob-CNOT7 interaction by a fragment screening approach
Protein Cell, 6, 2015
5DV2
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BU of 5dv2 by Molmil
Crystal structure of human CNOT6L in complex with cytidine-5'-monophosphate
Descriptor: CCR4-NOT transcription complex subunit 6-like, CYTIDINE-5'-MONOPHOSPHATE
Authors:Zhang, Q, Bartlam, M.
Deposit date:2015-09-21
Release date:2016-05-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural basis for inhibition of the deadenylase activity of human CNOT6L
Febs Lett., 590, 2016
5DJU
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BU of 5dju by Molmil
Crystal structure of LOV2 (C450A) domain in complex with Zdk3
Descriptor: CHLORIDE ION, Engineered protein, Zdk3 affibody, ...
Authors:Tarnawski, M, Wang, H, Yumerefendi, H, Hahn, K.M, Schlichting, I.
Deposit date:2015-09-02
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:LOVTRAP: an optogenetic system for photoinduced protein dissociation.
Nat.Methods, 13, 2016
5DV4
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BU of 5dv4 by Molmil
Crystal structure of human CNOT6L in complex with neomycin
Descriptor: CCR4-NOT transcription complex subunit 6-like, NEOMYCIN, SULFATE ION
Authors:Zhang, Q, Bartlam, M.
Deposit date:2015-09-21
Release date:2016-10-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for inhibition of the deadenylase activity of human CNOT6L
Febs Lett., 590, 2016
5DJT
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BU of 5djt by Molmil
Crystal structure of LOV2 (C450A) domain in complex with Zdk2
Descriptor: CHLORIDE ION, COPPER (II) ION, Engineered protein, ...
Authors:Tarnawski, M, Wang, H, Yumerefendi, H, Hahn, K.M, Schlichting, I.
Deposit date:2015-09-02
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:LOVTRAP: an optogenetic system for photoinduced protein dissociation.
Nat.Methods, 13, 2016
5EFW
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BU of 5efw by Molmil
Crystal structure of LOV2-Zdk1 - the complex of oat LOV2 and the affibody protein Zdark1
Descriptor: FLAVIN MONONUCLEOTIDE, NPH1-1, SULFATE ION, ...
Authors:Winkler, A, Wang, H, Hartmann, E, Hahn, K, Schlichting, I.
Deposit date:2015-10-26
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:LOVTRAP: an optogenetic system for photoinduced protein dissociation.
Nat.Methods, 13, 2016
8INB
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BU of 8inb by Molmil
Cryo-EM structure of Cas12j-SF05-crRNA-dsDNA complex
Descriptor: Cas12j-SF05, NTS-DNA, TS-DNA, ...
Authors:Zhang, X, Duan, Z.Q, Zhu, J.K.
Deposit date:2023-03-09
Release date:2024-03-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular basis for DNA cleavage by the hypercompact Cas12j-SF05.
Cell Discov, 9, 2023
8K8L
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BU of 8k8l by Molmil
Structure of Klebsiella pneumonia ModA with molybdate
Descriptor: MOLYBDATE ION, Molybdate transporter periplasmic protein
Authors:Zhao, Q, Bartlam, M.
Deposit date:2023-07-31
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural analysis of molybdate binding protein ModA from Klebsiella pneumoniae.
Biochem.Biophys.Res.Commun., 681, 2023
8K8K
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BU of 8k8k by Molmil
Structure of Klebsiella pneumonia ModA
Descriptor: Molybdate transporter periplasmic protein
Authors:Zhao, Q, Bartlam, M.
Deposit date:2023-07-31
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural analysis of molybdate binding protein ModA from Klebsiella pneumoniae.
Biochem.Biophys.Res.Commun., 681, 2023
3F39
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BU of 3f39 by Molmil
Apoferritin: complex with phenol
Descriptor: CADMIUM ION, Ferritin light chain, PHENOL, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F36
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BU of 3f36 by Molmil
Apoferritin: complex with 2-isopropylphenol
Descriptor: 2-(1-methylethyl)phenol, CADMIUM ION, Ferritin light chain, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F38
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BU of 3f38 by Molmil
Apoferritin: complex with 2,6-dimethylphenol
Descriptor: 2,6-dimethylphenol, CADMIUM ION, Ferritin light chain, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F32
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BU of 3f32 by Molmil
Horse spleen apoferritin
Descriptor: CADMIUM ION, Ferritin light chain, SULFATE ION
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F37
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BU of 3f37 by Molmil
Apoferritin: complex with 2,6-dimethylphenol
Descriptor: 2,6-dimethylphenol, ACETATE ION, CADMIUM ION, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009

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