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5W4A
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BU of 5w4a by Molmil
C. japonica N-domain
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IMIDAZOLE, ...
Authors:Aoki, S.T, Bingman, C.A, Kimble, J.
Deposit date:2017-06-09
Release date:2018-06-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:C. elegans germ granules require both assembly and localized regulators for mRNA repression.
Nat Commun, 12, 2021
5VP9
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BU of 5vp9 by Molmil
Crystal structure of HCV NS3/4A protease in complex with AM-07, an analogue of 5172-mcP1P3
Descriptor: NS4A cofactor -- NS3 protein chimera, SULFATE ION, ZINC ION, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2017-05-04
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.
J. Med. Chem., 60, 2017
5W4D
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BU of 5w4d by Molmil
C. japonica N-domain, Selenomethionine mutant
Descriptor: 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CHLORIDE ION, ...
Authors:Aoki, S.T, Bingman, C.A, Kimble, J.
Deposit date:2017-06-10
Release date:2018-06-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:C. elegans germ granules require both assembly and localized regulators for mRNA repression.
Nat Commun, 12, 2021
4RLR
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BU of 4rlr by Molmil
Structure of monoheme cytochrome PccH from Geobacter sulfurreducens
Descriptor: ACETATE ION, CACODYLATE ION, Cytochrome c, ...
Authors:Pokkuluri, P.R, Salgueiro, C.A.
Deposit date:2014-10-17
Release date:2015-04-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:The structure of PccH from Geobacter sulfurreducens - a novel low reduction potential monoheme cytochrome essential for accepting electrons from an electrode.
Febs J., 282, 2015
5WKN
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BU of 5wkn by Molmil
Crystal structure of the parainfluenza virus 5 nucleoprotein-phosphoprotein complex
Descriptor: Nucleoprotein, Phosphoprotein
Authors:Aggarwal, M, Leser, G.P, Kors, C.A, Lamb, R.A.
Deposit date:2017-07-25
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.653 Å)
Cite:Structure of the Paramyxovirus Parainfluenza Virus 5 Nucleoprotein in Complex with an Amino-Terminal Peptide of the Phosphoprotein.
J. Virol., 92, 2018
5WO4
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BU of 5wo4 by Molmil
JAK1 complexed with compound 28
Descriptor: 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lesburg, C.A, Patel, S.B.
Deposit date:2017-08-01
Release date:2017-12-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties.
J. Med. Chem., 60, 2017
4TNH
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BU of 4tnh by Molmil
RT XFEL structure of Photosystem II in the dark state at 4.9 A resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
Deposit date:2014-06-04
Release date:2014-07-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.900007 Å)
Cite:Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
4TNL
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BU of 4tnl by Molmil
1.8 A resolution room temperature structure of Thermolysin recorded using an XFEL
Descriptor: CALCIUM ION, Thermolysin, ZINC ION
Authors:Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
Deposit date:2014-06-04
Release date:2014-07-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
4TWK
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BU of 4twk by Molmil
Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Octyl Glucose Neopentyl Glycol, ...
Authors:Pike, A.C.W, Dong, Y.Y, Tessitore, A, Goubin, S, Strain-Damerell, C, Mukhopadhyay, S, Kupinska, K, Wang, D, Chalk, R, Berridge, G, Grieben, M, Shrestha, L, Ang, J.H, Mackenzie, A, Quigley, A, Bushell, S.R, Shintre, C.A, Faust, B, Chu, A, Dong, L, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P.
Deposit date:2014-06-30
Release date:2014-08-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1)
To Be Published
5WEG
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BU of 5weg by Molmil
Crystal Structure of UDP-glucose pyrophosphorylase from Sugarcane
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, UTP--glucose-1-phosphate uridylyltransferase
Authors:Cotrim, C.A, Soares, J.S.M, Kobe, B, Menossi, M.
Deposit date:2017-07-10
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure and insights into the oligomeric state of UDP-glucose pyrophosphorylase from sugarcane.
PLoS ONE, 13, 2018
4U2F
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BU of 4u2f by Molmil
Crystal structure of dienelactone hydrolase B-1 variant (Q35H, F38L, Y64H, Q110L, C123S, Y137C, Y145C, N154D, E199G, S208G and G211D) at 1.80 A resolution
Descriptor: Carboxymethylenebutenolidase, SULFATE ION
Authors:Porter, J.L, Collyer, C.A, Ollis, D.L.
Deposit date:2014-07-16
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
4U2B
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BU of 4u2b by Molmil
Crystal structure of dienelactone hydrolase (C123S) at 1.70 A resolution
Descriptor: Carboxymethylenebutenolidase, SULFATE ION
Authors:Porter, J.L, Collyer, C.A, Ollis, D.L.
Deposit date:2014-07-16
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
4U2E
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BU of 4u2e by Molmil
Crystal structure of dienelactone hydrolase S-3 variant (Q35H, F38L, Q110L, C123S, Y137C, Y145C, N154D, E199G, S208G, G211D and K234N) at 1.70 A resolution
Descriptor: Carboxymethylenebutenolidase, SULFATE ION
Authors:Porter, J.L, Collyer, C.A, Ollis, D.L.
Deposit date:2014-07-16
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
4U2D
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BU of 4u2d by Molmil
Crystal structure of dienelactone hydrolase S-2 variant (Q35H, F38L, Q110L, C123S, Y137C, Y145C, N154D, E199G, S208G and G211D) at 1.67 A resolution
Descriptor: Carboxymethylenebutenolidase, SULFATE ION
Authors:Porter, J.L, Collyer, C.A, Ollis, D.L.
Deposit date:2014-07-16
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
4U2G
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BU of 4u2g by Molmil
Crystal structure of dienelactone hydrolase B-4 variant (Q35H, F38L, Y64H, Q76L, Q110L, C123S, Y137C, A141V, Y145C, N154D, E199G, S208G, G211D, S233G and 237Q) at 1.80 A resolution
Descriptor: Carboxymethylenebutenolidase, SULFATE ION
Authors:Porter, J.L, Collyer, C.A, Ollis, D.L.
Deposit date:2014-07-16
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
4U2C
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BU of 4u2c by Molmil
Crystal structure of dienelactone hydrolase A-6 variant (S7T, A24V, Q35H, F38L, Q110L, C123S, Y145C, E199G and S208G) at 1.95 A resolution
Descriptor: Carboxymethylenebutenolidase, SULFATE ION
Authors:Porter, J.L, Collyer, C.A, Ollis, D.L.
Deposit date:2014-07-16
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
5WCV
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BU of 5wcv by Molmil
AsK132958: A minimal homologue of ShK identified in the transcriptome of Anemonia sulcata
Descriptor: ShK homolog AsK132958
Authors:Krishnarjuna, B, MacRaild, C.A, Norton, R.S.
Deposit date:2017-07-02
Release date:2017-10-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure, folding and stability of a minimal homologue from Anemonia sulcata of the sea anemone potassium channel blocker ShK.
Peptides, 99, 2018
4U6S
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BU of 4u6s by Molmil
CtBP1 in complex with substrate phenylpyruvate
Descriptor: 3-PHENYLPYRUVIC ACID, C-terminal-binding protein 1, CALCIUM ION, ...
Authors:Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E.
Deposit date:2014-07-29
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
4U6Q
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BU of 4u6q by Molmil
CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid
Descriptor: (2E)-2-(hydroxyimino)-3-phenylpropanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ...
Authors:Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E.
Deposit date:2014-07-29
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
5XIA
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BU of 5xia by Molmil
STRUCTURES OF D-XYLOSE ISOMERASE FROM ARTHROBACTER STRAIN B3728 CONTAINING THE INHIBITORS XYLITOL AND D-SORBITOL AT 2.5 ANGSTROMS AND 2.3 ANGSTROMS RESOLUTION, RESPECTIVELY
Descriptor: D-XYLOSE ISOMERASE, MAGNESIUM ION, Xylitol
Authors:Henrick, K, Collyer, C.A, Blow, D.M.
Deposit date:1989-07-05
Release date:1990-04-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of D-xylose isomerase from Arthrobacter strain B3728 containing the inhibitors xylitol and D-sorbitol at 2.5 A and 2.3 A resolution, respectively.
J.Mol.Biol., 208, 1989
5XF3
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BU of 5xf3 by Molmil
Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (R,R-configuration)
Descriptor: (1R,2R)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ...
Authors:Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A.
Deposit date:2017-04-07
Release date:2017-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation
Nat Commun, 8, 2017
5XF5
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BU of 5xf5 by Molmil
Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (R,S-configuration)
Descriptor: (1S,2R)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ...
Authors:Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A.
Deposit date:2017-04-07
Release date:2017-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation
Nat Commun, 8, 2017
4V5H
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BU of 4v5h by Molmil
E.Coli 70s Ribosome Stalled During Translation Of Tnac Leader Peptide.
Descriptor: 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Seidelt, B, Innis, C.A, Wilson, D.N, Gartmann, M, Armache, J, Villa, E, Trabuco, L.G, Becker, T, Mielke, T, Schulten, K, Steitz, T.A, Beckmann, R.
Deposit date:2009-10-26
Release date:2014-07-09
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Structural insight into nascent polypeptide chain-mediated translational stalling.
Science, 326, 2009
4V7W
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BU of 4v7w by Molmil
Structure of the Thermus thermophilus ribosome complexed with chloramphenicol.
Descriptor: 16S rRNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Bulkley, D.P, Innis, C.A, Blaha, G, Steitz, T.A.
Deposit date:2010-08-16
Release date:2014-07-09
Last modified:2014-12-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Revisiting the structures of several antibiotics bound to the bacterial ribosome.
Proc.Natl.Acad.Sci.USA, 107, 2010
5XF6
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BU of 5xf6 by Molmil
Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having an ethylenediamine linker
Descriptor: DNA (145-MER), ETHANE-1,2-DIAMINE, Histone H2A, ...
Authors:Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A.
Deposit date:2017-04-07
Release date:2017-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation
Nat Commun, 8, 2017

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