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8S98
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BU of 8s98 by Molmil
Crystal structure of the TYK2 pseudokinase domain in complex with compound 8
Descriptor: (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E.
Deposit date:2023-03-27
Release date:2023-07-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
8SMU
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BU of 8smu by Molmil
Integral fusion of the HtaA CR2 domain from Corynebacterium diphtheriae within EGFP
Descriptor: CHLORIDE ION, GLYCEROL, HtaACR2 integral fusion within enhanced green fluorescent protein, ...
Authors:Mahoney, B.J, Cascio, D, Clubb, R.T.
Deposit date:2023-04-26
Release date:2023-09-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Development and atomic structure of a new fluorescence-based sensor to probe heme transfer in bacterial pathogens.
J.Inorg.Biochem., 249, 2023
8U9O
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BU of 8u9o by Molmil
Solution structure of RsgI9 CRE domain from C. thermocellum
Descriptor: Anti-sigma-I factor RsgI9
Authors:Takayesu, A, Mahoney, B.J, Clubb, R.T.
Deposit date:2023-09-19
Release date:2024-04-24
Last modified:2024-07-10
Method:SOLUTION NMR
Cite:Insight into the autoproteolysis mechanism of the RsgI9 anti-sigma factor from Clostridium thermocellum.
Proteins, 92, 2024
2WCY
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BU of 2wcy by Molmil
NMR solution structure of factor I-like modules of complement C7.
Descriptor: COMPLEMENT COMPONENT C7
Authors:Phelan, M.M, Thai, C.T, Soares, D.C, Ogata, R.T, Barlow, P.N, Bramham, J.
Deposit date:2009-03-17
Release date:2009-05-19
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:Solution Structure of Factor I-Like Modules from Complement C7 Reveals a Pair of Follistatin Domains in Compact Pseudosymmetric Arrangement.
J.Biol.Chem., 284, 2009
3L0E
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BU of 3l0e by Molmil
X-ray crystal structure of a Potent Liver X Receptor Modulator
Descriptor: N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide, Nuclear receptor coactivator 2, Oxysterols receptor LXR-beta
Authors:Gampe Jr, R.T.
Deposit date:2009-12-09
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of tertiary sulfonamides as potent liver X receptor antagonists.
J.Med.Chem., 53, 2010
3WRG
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BU of 3wrg by Molmil
The complex structure of HypBA1 with L-arabinose
Descriptor: Non-reducing end beta-L-arabinofuranosidase, ZINC ION, beta-L-arabinofuranose
Authors:Huang, C.H, Zhu, Z, Cheng, Y.S, Chan, H.C, Ko, T.P, Chen, C.C, Wang, I, Ho, M.R, Hsu, S.T, Zeng, Y.F, Huang, Y.N, Liu, J.R, Guo, R.T.
Deposit date:2014-02-25
Release date:2014-09-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structure and Catalytic Mechanism of a Glycoside Hydrolase Family-127 beta-L-Arabinofuranosidase (HypBA1)
J BIOPROCESS BIOTECH, 4, 2014
3WRF
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BU of 3wrf by Molmil
The crystal structure of native HypBA1 from Bifidobacterium longum JCM 1217
Descriptor: Non-reducing end beta-L-arabinofuranosidase
Authors:Huang, C.H, Zhu, Z, Cheng, Y.S, Chan, H.C, Ko, T.P, Chen, C.C, Wang, I, Ho, M.R, Hsu, S.T, Zeng, Y.F, Huang, Y.N, Liu, J.R, Guo, R.T.
Deposit date:2014-02-25
Release date:2014-09-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure and Catalytic Mechanism of a Glycoside Hydrolase Family-127 beta-L-Arabinofuranosidase (HypBA1)
J BIOPROCESS BIOTECH, 4, 2014
7K7F
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BU of 7k7f by Molmil
Solution Structure of the Corynebacterium diphtheriae SpaA Pilin-Signal Peptide Complex
Descriptor: Putative surface-anchored fimbrial subunit, SpaA sorting signal peptide
Authors:McConnell, S.A, Clubb, R.T.
Deposit date:2020-09-22
Release date:2021-03-10
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Sortase-assembled pili in Corynebacterium diphtheriae are built using a latch mechanism.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M1M
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BU of 7m1m by Molmil
Crystal structure of Pseudomonas aeruginosa ClpP1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit
Authors:Mawla, G.D, Grant, R.A, Baker, T.A, Sauer, R.T.
Deposit date:2021-03-13
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:ClpP1P2 peptidase activity promotes biofilm formation in Pseudomonas aeruginosa.
Mol.Microbiol., 115, 2021
7M1L
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BU of 7m1l by Molmil
Crystal structure of Pseudomonas aeruginosa ClpP2
Descriptor: ATP-dependent Clp protease proteolytic subunit, PHOSPHATE ION
Authors:Hall, B.M, Grant, R.A, Baker, T.A, Sauer, R.T.
Deposit date:2021-03-13
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:ClpP1P2 peptidase activity promotes biofilm formation in Pseudomonas aeruginosa.
Mol.Microbiol., 115, 2021
7MPK
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BU of 7mpk by Molmil
Crystal structure of TagA with UDP-GlcNAc
Descriptor: N-acetylglucosaminyldiphosphoundecaprenol N-acetyl-beta-D-mannosaminyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Martinez, O.E, Cascio, D, Clubb, R.T.
Deposit date:2021-05-04
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.993 Å)
Cite:Insight into the molecular basis of substrate recognition by the wall teichoic acid glycosyltransferase TagA.
J.Biol.Chem., 298, 2021
7N41
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BU of 7n41 by Molmil
Crystal structure of TagA with UDP-ManNAc
Descriptor: (2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), N-acetylglucosaminyldiphosphoundecaprenol N-acetyl-beta-D-mannosaminyltransferase
Authors:Martinez, O.E, Cascio, D, Clubb, R.T.
Deposit date:2021-06-03
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Insight into the molecular basis of substrate recognition by the wall teichoic acid glycosyltransferase TagA.
J.Biol.Chem., 298, 2021
6QPX
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BU of 6qpx by Molmil
Crystal structure of nitrite bound Y323A mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, HEME C, ...
Authors:Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S.
Deposit date:2019-02-15
Release date:2019-11-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis.
Acs Catalysis, 9, 2019
6QQ2
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BU of 6qq2 by Molmil
Crystal structure of nitrite bound Y323F mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, HEME C, ...
Authors:Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S.
Deposit date:2019-02-16
Release date:2019-11-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis.
Acs Catalysis, 9, 2019
6R4N
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BU of 6r4n by Molmil
Crystal structure of S. cerevisia Niemann-Pick type C protein NPC2 with ergosterol bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ERGOSTEROL, ...
Authors:Winkler, M.B.L, Kidmose, R.T, Pedersen, B.P.
Deposit date:2019-03-22
Release date:2019-09-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Insight into Eukaryotic Sterol Transport through Niemann-Pick Type C Proteins.
Cell, 179, 2019
6R4M
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BU of 6r4m by Molmil
Crystal structure of S. cerevisia Niemann-Pick type C protein NPC2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Phosphatidylglycerol/phosphatidylinositol transfer protein
Authors:Winkler, M.B.L, Kidmose, R.T, Pedersen, B.P.
Deposit date:2019-03-22
Release date:2019-09-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Insight into Eukaryotic Sterol Transport through Niemann-Pick Type C Proteins.
Cell, 179, 2019
1LI4
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BU of 1li4 by Molmil
Human S-adenosylhomocysteine hydrolase complexed with neplanocin
Descriptor: 3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-CYCLOPENTANE-1,2-DIOL, ISOPROPYL ALCOHOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Yang, X, Hu, Y, Yin, D.H, Turner, M.A, Wang, M, Borchardt, R.T, Howell, P.L, Kuczera, K, Schowen, R.L.
Deposit date:2002-04-17
Release date:2003-05-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Catalytic strategy of S-adenosyl-L-homocysteine hydrolase: Transition-state stabilization and the avoidance of abortive reactions
Biochemistry, 42, 2003
6R4L
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BU of 6r4l by Molmil
Crystal structure of S. cerevisia Niemann-Pick type C protein NCR1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ERGOSTEROL, NPC intracellular cholesterol transporter 1-related protein 1, ...
Authors:Winkler, M.B.L, Kidmose, R.T, Pedersen, B.P.
Deposit date:2019-03-22
Release date:2019-09-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural Insight into Eukaryotic Sterol Transport through Niemann-Pick Type C Proteins.
Cell, 179, 2019
6QQ1
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BU of 6qq1 by Molmil
Crystal structure of as isolated Y323F mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
Authors:Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S.
Deposit date:2019-02-16
Release date:2019-11-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis.
Acs Catalysis, 9, 2019
6QPV
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BU of 6qpv by Molmil
Crystal structure of as isolated Y323A mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, HEME C
Authors:Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S.
Deposit date:2019-02-15
Release date:2019-11-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis.
Acs Catalysis, 9, 2019
6QQ0
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BU of 6qq0 by Molmil
Crystal structure of nitrite bound Y323E mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
Authors:Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S.
Deposit date:2019-02-16
Release date:2019-11-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis.
Acs Catalysis, 9, 2019
6QPZ
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BU of 6qpz by Molmil
Crystal structure of as isolated Y323E mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
Authors:Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S.
Deposit date:2019-02-16
Release date:2019-11-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis.
Acs Catalysis, 9, 2019
5KPY
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BU of 5kpy by Molmil
Structure of a 5-hydroxytryptophan aptamer
Descriptor: 5-hydroxy-L-tryptophan, 5-hydroxytryptophan RNA aptamer, IRIDIUM HEXAMMINE ION, ...
Authors:Batey, R.T, Porter, E, Merck, M.
Deposit date:2016-07-05
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recurrent RNA motifs as scaffolds for genetically encodable small-molecule biosensors.
Nat. Chem. Biol., 13, 2017
6WRF
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BU of 6wrf by Molmil
ClpX-ClpP complex bound to GFP-ssrA, recognition complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ATP-dependent Clp protease proteolytic subunit, ...
Authors:Fei, X, Sauer, R.T.
Deposit date:2020-04-29
Release date:2020-11-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structural basis of ClpXP recognition and unfolding of ssrA-tagged substrates.
Elife, 9, 2020
6WSG
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BU of 6wsg by Molmil
ClpX-ClpP complex bound to ssrA-tagged GFP, intermediate complex
Descriptor: ATP-dependent Clp protease ATP-binding subunit ClpX, ATP-dependent Clp protease proteolytic subunit, Green fluorescent protein, ...
Authors:Fei, X, Sauer, R.T.
Deposit date:2020-04-30
Release date:2020-11-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural basis of ClpXP recognition and unfolding of ssrA-tagged substrates.
Elife, 9, 2020

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