4N4X
 
 | | Crystal Structure of the MBP fused human SPLUNC1 (native form) | | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Maltose-binding periplasmic/Palate lung and nasal epithelium clone fusion protein | | Authors: | Ning, F, Wang, C, Niu, L, Chu, H.W, Zhang, G. | | Deposit date: | 2013-10-08 | | Release date: | 2014-09-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Lipid ligands of human SPLUNC1
To be Published
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6TF8
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6TJV
 | | Structure of the NDH-1MS complex from Thermosynechococcus elongatus | | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, BETA-CAROTENE, ... | | Authors: | Schuller, J.M, Saura, P, Thiemann, J, Schuller, S.K, Gamiz-Hernandez, A.P, Kurisu, G, Nowaczyk, M.M, Kaila, V.R.I. | | Deposit date: | 2019-11-27 | | Release date: | 2020-02-19 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Redox-coupled proton pumping drives carbon concentration in the photosynthetic complex I.
Nat Commun, 11, 2020
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4IVP
 | | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with IN51/20 | | Descriptor: | 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase | | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | | Deposit date: | 2013-01-23 | | Release date: | 2013-02-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer
To be Published
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4KTY
 | | Fibrin-stabilizing factor with a bound ligand | | Descriptor: | CALCIUM ION, Coagulation factor XIII A chain, GLYCEROL, ... | | Authors: | Stieler, M, Heine, A, Klebe, G. | | Deposit date: | 2013-05-21 | | Release date: | 2013-12-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure of Active Coagulation Factor XIII Triggered by Calcium Binding: Basis for the Design of Next-Generation Anticoagulants.
Angew.Chem.Int.Ed.Engl., 52, 2013
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6GOY
 | | Structure of mEos4b in the green fluorescent state | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | De Zitter, E, Adam, V, Byrdin, M, Van Meervelt, L, Dedecker, P, Bourgeois, D. | | Deposit date: | 2018-06-04 | | Release date: | 2019-05-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Mechanistic investigation of mEos4b reveals a strategy to reduce track interruptions in sptPALM.
Nat.Methods, 16, 2019
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6VII
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6IGZ
 | | Structure of PSI-LHCI | | Descriptor: | (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Xiong, P, Xiaochun, Q. | | Deposit date: | 2018-09-27 | | Release date: | 2019-02-13 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | Structure of a green algal photosystem I in complex with a large number of light-harvesting complex I subunits.
Nat Plants, 5, 2019
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3ZQE
 | | PrgI-SipD from Salmonella typhimurium in complex with deoxycholate | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, GLYCEROL, PROTEIN PRGI, ... | | Authors: | Lunelli, M, Kolbe, M. | | Deposit date: | 2011-06-09 | | Release date: | 2011-08-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Crystal Structure of Prgi-Sipd: Insight Into a Secretion Competent State of the Type Three Secretion System Needle Tip and its Interaction with Host Ligands
Plos Pathog., 7, 2011
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6UGK
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6HU1
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 10 | | Descriptor: | 4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-10-05 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.996 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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4JBX
 | | Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with SK-78 | | Descriptor: | 1,2-ETHANEDIOL, 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, ... | | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | | Deposit date: | 2013-02-20 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer
To be Published
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6HU0
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 9 | | Descriptor: | 3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-10-05 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.746 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6UYK
 | | Dark-operative protochlorophyllide oxidoreductase in the nucleotide-free form. | | Descriptor: | CHLORIDE ION, IRON/SULFUR CLUSTER, Light-independent protochlorophyllide reductase iron-sulfur ATP-binding protein | | Authors: | Bacik, J.P, Imran, S.M.S, Watkins, M.B, Corless, E, Antony, E, Ando, N. | | Deposit date: | 2019-11-13 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The flexible N-terminus of BchL autoinhibits activity through interaction with its [4Fe-4S] cluster and released upon ATP binding.
J.Biol.Chem., 296, 2020
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6IF6
 | | Structure of the periplasmic domain of SflA | | Descriptor: | GLYCEROL, PHOSPHATE ION, Protein SflA | | Authors: | Nishikawa, S, Sakuma, M, Kojima, S, Homma, M, Imada, K. | | Deposit date: | 2018-09-18 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the periplasmic domain of SflA involved in spatial regulation of the flagellar biogenesis of Vibrio reveals a TPR/SLR-like fold.
J.Biochem., 166, 2019
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4S0S
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6UZF
 | | Crystal structure of the unliganded bromodomain of human BRD9 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 9, DIMETHYL SULFOXIDE, ... | | Authors: | Karim, M.R, Chan, A, Schonbrunn, E. | | Deposit date: | 2019-11-15 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
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5EGP
 | | Crystal structure of the S-methyltransferase TmtA | | Descriptor: | ACETATE ION, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | | Authors: | Duell, E.R, Glaser, M, Antes, I, Groll, M, Huber, E.M. | | Deposit date: | 2015-10-27 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Sequential Inactivation of Gliotoxin by the S-Methyltransferase TmtA.
Acs Chem.Biol., 11, 2016
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6HI9
 | | PI3 Kinase Delta in complex with 3[6(oxan4yl)pyridin2yl]phenol | | Descriptor: | 3-[6-(oxan-4-yl)pyridin-2-yl]phenol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Convery, M.A, Summers, D, Peace, S. | | Deposit date: | 2018-08-29 | | Release date: | 2019-09-11 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | A theoretical and experimental investigation into the conformational bias of aryl cyclopropylpyrans, novel bioisosteres for N-aryl morpholines.
To be published
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6HQY
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with PCI-34051 | | Descriptor: | 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide, GLYCEROL, Histone deacetylase, ... | | Authors: | Marek, M, Shaik, T.B, Romier, C. | | Deposit date: | 2018-09-25 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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3TKZ
 | | Structure of the SHP-2 N-SH2 domain in a 1:2 complex with RVIpYFVPLNR peptide | | Descriptor: | PROTEIN (RVIpYFVPLNR peptide), Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Zhang, Y, Zhang, J, Yuan, C, Hard, R.L, Park, I.H, Li, C, Bell, C.E, Pei, D. | | Deposit date: | 2011-08-29 | | Release date: | 2011-10-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Simultaneous binding of two peptidyl ligands by a SRC homology 2 domain.
Biochemistry, 50, 2011
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3TL0
 | | Structure of SHP2 N-SH2 domain in complex with RLNpYAQLWHR peptide | | Descriptor: | RLNpYAQLWHR peptide, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Zhang, Y, Zhang, J, Yuan, C, Hard, R.L, Park, I.H, Li, C, Bell, C.E, Pei, D. | | Deposit date: | 2011-08-29 | | Release date: | 2011-09-28 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Simultaneous binding of two peptidyl ligands by a SRC homology 2 domain.
Biochemistry, 50, 2011
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6GP0
 | | Structure of mEos4b in the red fluorescent state | | Descriptor: | Green to red photoconvertible GFP-like protein EosFP | | Authors: | De Zitter, E, Adam, V, Byrdin, M, Van Meervelt, L, Dedecker, P, Bourgeois, D. | | Deposit date: | 2018-06-04 | | Release date: | 2019-05-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mechanistic investigation of mEos4b reveals a strategy to reduce track interruptions in sptPALM.
Nat.Methods, 16, 2019
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3TF6
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6N3F
 | | Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to SF3b1 ULM5 | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, HIV Tat-specific factor 1, ... | | Authors: | Leach, J.R, Jenkins, J.L, Kielkopf, C.L. | | Deposit date: | 2018-11-15 | | Release date: | 2019-01-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface.
J. Biol. Chem., 294, 2019
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