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6V6B
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BU of 6v6b by Molmil
Structures of GCP2 and GCP3 in the native human gamma-tubulin ring complex
Descriptor: Gamma-tubulin complex component 2, Gamma-tubulin complex component 3
Authors:Wieczorek, M, Urnavicius, L, Ti, S, Molloy, K.R, Chait, B.T, Kapoor, T.M.
Deposit date:2019-12-04
Release date:2020-01-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Asymmetric Molecular Architecture of the Human gamma-Tubulin Ring Complex.
Cell, 180, 2020
4IRO
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BU of 4iro by Molmil
Crystal structure of T-state carbonmonoxy hemoglobin from Trematomus bernacchii at pH 8.4
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Merlino, A, Balsamo, A, Mazzarella, L, Vergara, A.
Deposit date:2013-01-15
Release date:2013-02-20
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Role of tertiary structures on the Root effect in fish hemoglobins.
Biochim.Biophys.Acta, 1834, 2013
3P70
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BU of 3p70 by Molmil
Structural basis of thrombin-mediated factor V activation: essential role of the hirudin-like sequence Glu666-Glu672 for processing at the heavy chain-B domain junction
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, ...
Authors:Corral-Rodriguez, M.A, Bock, P.E, Hernandez-Carvajal, E, Gutierrez-Gallego, R, Fuentes-Prior, P.
Deposit date:2010-10-11
Release date:2011-09-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis of thrombin-mediated factor V activation: the Glu666-Glu672 sequence is critical for processing at the heavy chain-B domain junction.
Blood, 117, 2011
6UUF
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BU of 6uuf by Molmil
Crystal structure of a Nudix Hydrolase from M. Smegmatis, RenU
Descriptor: Nudix Hydrolase, RenU
Authors:Wright, K.M, Yoder, J, Shoemaker, S, Hernandez, A, Iheanacho, A, Marques, I, Amzel, M.L, Gabelli, S.B.
Deposit date:2019-10-30
Release date:2021-05-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of RenU
To Be Published
6V4T
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BU of 6v4t by Molmil
MPER-TMD of HIV-1 Env bound with the entry inhibitor S2C3
Descriptor: 4,4'-(decane-1,10-diyl)bis(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium), Envelope glycoprotein gp160
Authors:Xiao, T, Frey, G, Fu, Q, Lavine, C.L, Scott, D.A, Seaman, M.S, Chou, J.J, Chen, B.
Deposit date:2019-11-30
Release date:2020-04-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:HIV-1 fusion inhibitors targeting the membrane-proximal external region of Env spikes.
Nat.Chem.Biol., 16, 2020
6W0Z
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BU of 6w0z by Molmil
Structure of KHK in complex with compound 8 (2-[(1~{S},5~{R})-3-[2-[(2~{S})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid)
Descriptor: 2-[(1~{S},5~{R})-3-[2-[(2~{S})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid, Ketohexokinase, SULFATE ION
Authors:Jasti, J.
Deposit date:2020-03-03
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
6ZV9
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BU of 6zv9 by Molmil
Terbium(III)-bound de novo TIM barrel-ferredoxin fold fusion dimer with 4-glutamate binding site and tryptophan antenna (TFD-EE N6W)
Descriptor: 1,2-ETHANEDIOL, TERBIUM(III) ION, TFD-EE
Authors:Caldwell, S, Haydon, I, Piperidou, N, Huang, P, Hilvert, D, Baker, D, Zeymer, C.
Deposit date:2020-07-24
Release date:2020-11-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
3TIH
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BU of 3tih by Molmil
Crystal structure of unliganded HIV-1 clade C strain ZM109F.PB4 gp120 core
Descriptor: HIV-1 clade C ZM109F.PB4 gp120
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2011-08-20
Release date:2012-04-04
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (4 Å)
Cite:Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
6W0X
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BU of 6w0x by Molmil
Structure of KHK in complex with compound 4 (6-[(1~{S},5~{R})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile)
Descriptor: 6-[(1~{S},5~{R})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, Ketohexokinase, SULFATE ION
Authors:Jasti, J.
Deposit date:2020-03-03
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
6W25
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BU of 6w25 by Molmil
Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with SHU9119
Descriptor: CALCIUM ION, Melanocortin receptor 4,GlgA glycogen synthase,Melanocortin receptor 4, OLEIC ACID, ...
Authors:Yu, J, Gimenez, L.E, Hernandez, C.C, Wu, Y, Wein, A.H, Han, G.W, McClary, K, Mittal, S.R, Burdsall, K, Stauch, B, Wu, L, Stevens, S.N, Peisley, A, Williams, S.Y, Chen, V, Millhauser, G.L, Zhao, S, Cone, R.D, Stevens, R.C.
Deposit date:2020-03-04
Release date:2020-04-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Determination of the melanocortin-4 receptor structure identifies Ca2+as a cofactor for ligand binding.
Science, 368, 2020
3B3L
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BU of 3b3l by Molmil
Crystal structures of alternatively-spliced isoforms of human ketohexokinase
Descriptor: Ketohexokinase
Authors:Trinh, C.H, Asipu, A, Bonthron, D.T, Phillips, S.E.V.
Deposit date:2007-10-22
Release date:2008-10-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of alternatively-spliced isoforms of human ketohexokinase
To be Published
7A4L
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BU of 7a4l by Molmil
PRE-only solution structure of the Iron-Sulfur protein PioC from Rhodopseudomonas palustris TIE-1
Descriptor: IRON/SULFUR CLUSTER, PioC
Authors:Trindade, I, Invernici, M, Cantini, F, Louro, R, Piccioli, M.
Deposit date:2020-08-19
Release date:2020-11-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:PRE-driven protein NMR structures: an alternative approach in highly paramagnetic systems.
Febs J., 288, 2021
3P6Z
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BU of 3p6z by Molmil
Structural basis of thrombin mediated factor V activation: essential role of the hirudin-like sequence Glu666-Glu672 for processing at the heavy chain-B domain junction
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Corral-Rodriguez, M.A, Bock, P.E, Hernandez-Carvajal, E, Gutierrez-Gallego, R, Fuentes-Prior, P.
Deposit date:2010-10-11
Release date:2011-06-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of thrombin-mediated factor V activation: the Glu666-Glu672 sequence is critical for processing at the heavy chain-B domain junction.
Blood, 117, 2011
6CG9
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BU of 6cg9 by Molmil
Crystal structure of Triosephosphate Isomerase from Zea mays (mexican corn)
Descriptor: ACETATE ION, GLYCEROL, Triosephosphate isomerase, ...
Authors:Romero-Romero, S, Fernandez-Velasco, D.A, Rodriguez-Romero, A.
Deposit date:2018-02-19
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and conformational stability of the triosephosphate isomerase from Zea mays. Comparison with the chemical unfolding pathways of other eukaryotic TIMs.
Arch. Biochem. Biophys., 658, 2018
5WVH
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BU of 5wvh by Molmil
Crystal structure of an insect group III chitinase complex with (GlcNAc)6 (CAD2-(GlcNAc)6 ) from Ostrinia furnacalis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase
Authors:Liu, T, Zhou, Y, Yang, Q.
Deposit date:2016-12-24
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:The deduced role of a chitinase containing two nonsynergistic catalytic domains
Acta Crystallogr D Struct Biol, 74, 2018
5WVF
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BU of 5wvf by Molmil
Crystal structure of a mutant insect group III chitinase (CAD2-E647L) from Ostrinia furnacalis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase
Authors:Liu, T, Zhou, Y, Yang, Q.
Deposit date:2016-12-24
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:The deduced role of a chitinase containing two nonsynergistic catalytic domains
Acta Crystallogr D Struct Biol, 74, 2018
6W0Y
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BU of 6w0y by Molmil
Structure of KHK in complex with compound 6 (2-[(1~{R},5~{S})-3-[5-cyano-6-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid)
Descriptor: 2-[(1~{R},5~{S})-3-[5-cyano-6-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid, Ketohexokinase, SULFATE ION
Authors:Jasti, J.
Deposit date:2020-03-03
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
6W0N
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BU of 6w0n by Molmil
Structure of KHK in complex with compound 2
Descriptor: 6-[(3~{S},4~{R})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{S})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ...
Authors:Jasti, J.
Deposit date:2020-03-02
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
6WXP
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BU of 6wxp by Molmil
De novo TIM barrel-ferredoxin fold fusion homodimer with 4-glutamate centre TFD-EE
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, TFD-EE
Authors:Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D.
Deposit date:2020-05-11
Release date:2020-11-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
5WV8
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BU of 5wv8 by Molmil
Crystal structure of a mutant insect group III chitinase (CAD1-E217L) from Ostrinia furnacalis
Descriptor: Chitinase
Authors:Liu, T, Zhou, Y, Yang, Q.
Deposit date:2016-12-22
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.042 Å)
Cite:The deduced role of a chitinase containing two nonsynergistic catalytic domains
Acta Crystallogr D Struct Biol, 74, 2018
5WV9
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BU of 5wv9 by Molmil
Crystal structure of a insect group III chitinase complex with (GlcNAc)6 (CAD1-(GlcNAc)6 ) from Ostrinia furnacalis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase
Authors:Liu, T, Zhou, Y, Yang, Q.
Deposit date:2016-12-23
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:The deduced role of a chitinase containing two nonsynergistic catalytic domains
Acta Crystallogr D Struct Biol, 74, 2018
6WXO
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BU of 6wxo by Molmil
De novo TIM barrel-ferredoxin fold fusion homodimer with 2-histidine 2-glutamate centre TFD-HE
Descriptor: GLYCEROL, SULFATE ION, TFD-HE
Authors:Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D.
Deposit date:2020-05-11
Release date:2020-11-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
6X0V
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BU of 6x0v by Molmil
Structure of MZT2/GCP-NHD and CDK5Rap2 at position 13 of the gamma-TuRC
Descriptor: Centrosome protein Cep215, Gamma-tubulin complex component 2, Mitotic-spindle organizing protein 2A
Authors:Wieczorek, M, Huang, T.-L, Urnavicius, L, Hsia, K.-C, Kapoor, T.M.
Deposit date:2020-05-17
Release date:2020-07-22
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:MZT Proteins Form Multi-Faceted Structural Modules in the gamma-Tubulin Ring Complex.
Cell Rep, 31, 2020
6X0U
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BU of 6x0u by Molmil
Structure of MZT1/GCP3-NHD and MZT1/GCP6-NHD in the gamma-TuRC lumenal bridge
Descriptor: Gamma-tubulin complex component 3, Gamma-tubulin complex component 6, Mitotic-spindle organizing protein 1
Authors:Wieczorek, M, Huang, T.-L, Urnavicius, L, Hsia, K.-C, Kapoor, T.M.
Deposit date:2020-05-17
Release date:2020-07-22
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:MZT Proteins Form Multi-Faceted Structural Modules in the gamma-Tubulin Ring Complex.
Cell Rep, 31, 2020
6W0W
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BU of 6w0w by Molmil
Structure of KHK in complex with compound 3
Descriptor: 6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, Ketohexokinase, SULFATE ION
Authors:Jasti, J.
Deposit date:2020-03-03
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020

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