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6UWI
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BU of 6uwi by Molmil
Crystal structure of the Clostridium difficile translocase CDTb
Descriptor: ADP-ribosyltransferase binding component, CALCIUM ION
Authors:Pozharski, E.
Deposit date:2019-11-05
Release date:2020-01-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
8A6I
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BU of 8a6i by Molmil
Structure of the low complexity domain of TDP-43 (fragment 309-350) with methionine sulfoxide modifications
Descriptor: TAR DNA-binding protein 43
Authors:Carrasco, J, Anton, R, Pantoja-Uceda, D, Laurents, D.V, Oroz, J.
Deposit date:2022-06-17
Release date:2023-02-08
Method:SOLUTION NMR
Cite:Metamorphism in TDP-43 prion-like domain determines chaperone recognition.
Nat Commun, 14, 2023
3NWQ
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BU of 3nwq by Molmil
X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with MVT-101
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2010-07-10
Release date:2011-11-02
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
8Q6U
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BU of 8q6u by Molmil
Crystal structure of a double mutant acetyltransferase from Bacillus cereus species.
Descriptor: 1,2-ETHANEDIOL, Aminoglycoside N6'-acetyltransferase, ZINC ION
Authors:Silvestre, H.L.
Deposit date:2023-08-14
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.516 Å)
Cite:Functional and structural characterisation of RimL from Bacillus cereus, a new N alpha-acetyltransferase of ribosomal proteins that was wrongly assigned as an aminoglycosyltransferase.
Int.J.Biol.Macromol., 263, 2024
3NY1
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BU of 3ny1 by Molmil
Structure of the ubr-box of the UBR1 ubiquitin ligase
Descriptor: E3 ubiquitin-protein ligase UBR1, ZINC ION
Authors:Matta-Camacho, E, Kozlov, G, Li, F, Gehring, K.
Deposit date:2010-07-14
Release date:2010-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.085 Å)
Cite:Structural basis of substrate recognition and specificity in the N-end rule pathway.
Nat.Struct.Mol.Biol., 17, 2010
4HNJ
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BU of 4hnj by Molmil
Crystallographic structure of BCL-xL domain-swapped dimer in complex with PUMA BH3 peptide at 2.9A resolution
Descriptor: Bcl-2-binding component 3, Bcl-2-like protein 1
Authors:Fisher, J.C, Yun, M.K, White, S.W.
Deposit date:2012-10-19
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:PUMA binding induces partial unfolding within BCL-xL to disrupt p53 binding and promote apoptosis.
Nat.Chem.Biol., 9, 2013
3NZZ
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BU of 3nzz by Molmil
Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD
Descriptor: Cell invasion protein sipD, NICKEL (II) ION
Authors:Chatterjee, S, Zhong, D, Nordhues, B.A, Battaile, K.P, Lovell, S, DeGuzman, R.N.
Deposit date:2010-07-18
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate.
Protein Sci., 20, 2011
4HP4
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BU of 4hp4 by Molmil
Crystal structure of PAS domain from the fruit-fly ELK potassium channel
Descriptor: Eag-like K[+] channel, GLYCEROL, SULFATE ION
Authors:Adaixo, R, Morais-Cabral, J.H.
Deposit date:2012-10-23
Release date:2013-03-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural properties of PAS domains from the KCNH potassium channels
Plos One, 8, 2013
6UZ4
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BU of 6uz4 by Molmil
Solution structure of AGL55-Kringle 2 complex
Descriptor: M protein, Plasminogen
Authors:Qiu, C, Yuan, Y, Castellino, F.J.
Deposit date:2019-11-14
Release date:2020-12-09
Method:SOLUTION NMR
Cite:Structural evolution of the A-domain in plasminogen-binding Group A streptococcal M-protein reflects improved adaptability of the pathogen to the host
To Be Published
4HQA
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BU of 4hqa by Molmil
Crystal structure of PAS domain from the human ERG (hERG) potassium channel
Descriptor: Potassium voltage-gated channel subfamily H member 2
Authors:Adaixo, R, Morais-Cabral, J.H, Harley, C.A.
Deposit date:2012-10-25
Release date:2013-03-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural properties of PAS domains from the KCNH potassium channels
Plos One, 8, 2013
7ZLO
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BU of 7zlo by Molmil
Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 12
Descriptor: Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ...
Authors:Ramachandran, S, Ciulli, A, Makukhin, N.
Deposit date:2022-04-15
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
7ZLP
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BU of 7zlp by Molmil
Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 9
Descriptor: Elongin-B, Elongin-C, PHOSPHATE ION, ...
Authors:Ramachandran, S, Ciulli, A, Makukhin, N.
Deposit date:2022-04-15
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
7ZLN
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BU of 7zln by Molmil
Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 11
Descriptor: Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ...
Authors:Ramachandran, S, Ciulli, A, Makukhin, N.
Deposit date:2022-04-15
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
7ZLS
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BU of 7zls by Molmil
co-crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 13
Descriptor: 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ...
Authors:Ramachandran, S, Ciulli, A, Makukhin, N.
Deposit date:2022-04-15
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
7ZLR
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BU of 7zlr by Molmil
Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 13
Descriptor: Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ...
Authors:Ramachandran, S, Ciulli, A, Makukhin, N.
Deposit date:2022-04-15
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
7ZLM
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BU of 7zlm by Molmil
Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound MN551
Descriptor: Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ...
Authors:Ramachandran, S, Ciulli, A, Makukhin, N.
Deposit date:2022-04-15
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
6UWT
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BU of 6uwt by Molmil
Clostridium difficile binary toxin translocase CDTb tetradecamer in symmetric conformation
Descriptor: ADP-ribosyltransferase binding component, CALCIUM ION
Authors:Xu, X, Pozharski, E, des Georges, A.
Deposit date:2019-11-05
Release date:2020-01-22
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
8S9Y
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BU of 8s9y by Molmil
Taipan Natriuretic Peptide C -TNPc
Descriptor: Peptide TNP-c
Authors:Torres, A.M, Alewood, P.F.
Deposit date:2023-03-30
Release date:2023-04-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Taipan Natriuretic Peptides Are Potent and Selective Agonists for the Natriuretic Peptide Receptor A.
Molecules, 28, 2023
8A0W
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BU of 8a0w by Molmil
Crystal structure of the HigA2 antitoxin in complex with operator DNA
Descriptor: Antitoxin HigA-2, DNA (17-MER), PHOSPHATE ION
Authors:Hadzi, S, Loris, R.
Deposit date:2022-05-30
Release date:2023-05-03
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.334 Å)
Cite:Fuzzy recognition by the prokaryotic transcription factor HigA2 from Vibrio cholerae.
Nat Commun, 15, 2024
7ZMX
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BU of 7zmx by Molmil
Crystal structure of the Plant Homeodomain (PHD) of human ING3
Descriptor: CALCIUM ION, Inhibitor of growth protein 3, ZINC ION
Authors:Ferreras, M.O, Medrano, F.J, Blanco, F.J.
Deposit date:2022-04-20
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural analysis of ING3 protein and histone H3 binding.
Int.J.Biol.Macromol., 242, 2023
6V9K
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BU of 6v9k by Molmil
CRYSTAL STRUCTURE OF THE HYBRID C-TERMINAL DOMAIN OF ENZYME I OF THE BACTERIAL PHOSPHOTRANSFERASE SYSTEM FORMED BY HYBRIDIZING THE SCAFFOLD OF THE ESCHERICHIA COLI ENZYME WITH THE ACTIVE SITE LOOPS FROM THE THERMOANAEROBACTER TENGCONGENSIS ENZYME
Descriptor: MAGNESIUM ION, Phosphoenolpyruvate-protein phosphotransferase
Authors:Stewart Jr, C.E.
Deposit date:2019-12-13
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hybrid Thermophilic/Mesophilic Enzymes Reveal a Role for Conformational Disorder in Regulation of Bacterial Enzyme I.
J.Mol.Biol., 432, 2020
4HRS
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BU of 4hrs by Molmil
Crystal structure of H. volcanii small archaeal modifier protein 2
Descriptor: Small archaeal modifier protein 2
Authors:Hao, B.
Deposit date:2012-10-28
Release date:2013-08-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the ubiquitin-like small archaeal modifier protein 2 from Haloferax volcanii.
Protein Sci., 22, 2013
6VCJ
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BU of 6vcj by Molmil
Crystal structure of hsDHFR in complex with NADP+, DAP, and R-naproxen
Descriptor: (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, Dihydrofolate reductase, FOLIC ACID, ...
Authors:Pedersen, L.C, London, R.E, Gabel, S.A, Krahn, J.M, DeRose, E.F.
Deposit date:2019-12-21
Release date:2020-10-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:The Structural Basis for Nonsteroidal Anti-Inflammatory Drug Inhibition of Human Dihydrofolate Reductase.
J.Med.Chem., 63, 2020
6VCU
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BU of 6vcu by Molmil
Homo sapiens FKBP12 protein bound with APX879 in P32 space group
Descriptor: ACETATE ION, N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide, Peptidyl-prolyl cis-trans isomerase FKBP1A
Authors:Gobeil, S, Spicer, L.
Deposit date:2019-12-23
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs.
Mbio, 12, 2021
4HZ1
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BU of 4hz1 by Molmil
Crystal Structure of Pseudomonas aeruginosa azurin with iron(II) at the copper-binding site.
Descriptor: ACETATE ION, Azurin, FE (II) ION
Authors:McLaughlin, M.P, Retegan, M, Bill, E, Payne, T.M, Shafaat, H.S, Pea, S, Sudhamsu, J, Ensign, A.A, Crane, B.R, Neese, F, Holland, P.L.
Deposit date:2012-11-14
Release date:2012-12-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Azurin as a Protein Scaffold for a Low-coordinate Nonheme Iron Site with a Small-molecule Binding Pocket.
J.Am.Chem.Soc., 134, 2012

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