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8G6M
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BU of 8g6m by Molmil
HIV-1 CA lattice bound to IP6, pH 7.4
Descriptor: Capsid protein
Authors:Highland, C.M, Dick, R.A.
Deposit date:2023-02-15
Release date:2023-05-03
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into HIV-1 polyanion-dependent capsid lattice formation revealed by single particle cryo-EM.
Proc.Natl.Acad.Sci.USA, 120, 2023
8G6N
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BU of 8g6n by Molmil
HIV-1 capsid lattice bound to dNTPs
Descriptor: Capsid protein
Authors:Highland, C.M, Dick, R.A.
Deposit date:2023-02-15
Release date:2023-05-03
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into HIV-1 polyanion-dependent capsid lattice formation revealed by single particle cryo-EM.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CKW
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BU of 8ckw by Molmil
HIV-1 mature capsid pentamer from CA-IP6 CLPs
Descriptor: Gag polyprotein
Authors:Stacey, J.C.V, Briggs, J.A.G.
Deposit date:2023-02-16
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CL4
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BU of 8cl4 by Molmil
HIV-1 mature capsid pentamer from CA-IP6 CLPs bound to Sec24C peptide
Descriptor: Gag polyprotein
Authors:Stacey, J.C.V, Briggs, J.A.G.
Deposit date:2023-02-16
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8SVC
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BU of 8svc by Molmil
Crystal Structure of SBP from Klebsiella pneumoniae
Descriptor: Metal ABC transporter substrate-binding protein, SULFATE ION, ZINC ION
Authors:Giles, M.W, Cole, G.B, Ng, D, McDevitt, C.A, Moraes, T.F.
Deposit date:2023-05-16
Release date:2024-01-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Zinc acquisition and its contribution to Klebsiella pneumoniae virulence.
Front Cell Infect Microbiol, 13, 2023
7SU6
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BU of 7su6 by Molmil
DIHYDRONEOPTERIN ALDOLASE (DHNA) Lys98Ala FROM YERSINIA PESTIS CO-CRYSTALLIZED with 7,8-dihydroneopterin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, 7,8-dihydroneopterin aldolase
Authors:Bourne, C.R.
Deposit date:2021-11-16
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:DIHYDRONEOPTERIN ALDOLASE (DHNA) Lys98Ala FROM YERSINIA PESTIS CO-CRYSTALLIZED with 7,8-dihydroneopterin
To Be Published
7SU4
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BU of 7su4 by Molmil
Dihydroneopterin aldolase (DHNA) Tyr53Phe from Yersinia pestis co-crystallized with 7,8-dihydroneopterin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, 7,8-dihydroneopterin aldolase, ...
Authors:Bourne, C.R.
Deposit date:2021-11-16
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Dihydroneopterin aldolase (DHNA) Tyr53Phe from Yersinia pestis co-crystallized with 7,8-dihydroneopterin
To Be Published
6OUG
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BU of 6oug by Molmil
Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor, TM + cytosolic helix construct
Descriptor: (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, Matrix protein 2
Authors:Thomaston, J.L, Liu, L, DeGrado, W.F.
Deposit date:2019-05-04
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Biochemistry, 59, 2020
4O3M
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BU of 4o3m by Molmil
Ternary complex of Bloom's syndrome helicase
Descriptor: 1,2-ETHANEDIOL, 5'-D(*AP*GP*CP*GP*TP*CP*GP*AP*GP*AP*TP*CP*CP*AP*AP*G)-3', 5'-D(*CP*TP*TP*GP*GP*AP*TP*CP*TP*CP*GP*AP*CP*GP*CP*TP*CP*TP*CP*CP*CP*TP*TP*A)-3', ...
Authors:Swan, M.K, Bertrand, J.
Deposit date:2013-12-18
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of human Bloom's syndrome helicase in complex with ADP and duplex DNA.
Acta Crystallogr.,Sect.D, 70, 2014
3FS7
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BU of 3fs7 by Molmil
Crystal structure of Gallus gallus beta-parvalbumin (avian thymic hormone)
Descriptor: CALCIUM ION, GLYCEROL, Parvalbumin, ...
Authors:Schuermann, J.P, Tanner, J.J, Henzl, M.T.
Deposit date:2009-01-09
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9539 Å)
Cite:Structure of avian thymic hormone, a high-affinity avian beta-parvalbumin, in the Ca2+-free and Ca2+-bound states.
J.Mol.Biol., 397, 2010
6K5O
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BU of 6k5o by Molmil
Development of Novel Lithocholic Acid Derivatives as Vitamin D Receptor Agonists
Descriptor: (4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Masuno, H, Kagechika, H, Ito, N.
Deposit date:2019-05-29
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of novel lithocholic acid derivatives as vitamin D receptor agonists.
Bioorg.Med.Chem., 27, 2019
6KIQ
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BU of 6kiq by Molmil
Complex of yeast cytoplasmic dynein MTBD-High and MT with DTT
Descriptor: Alpha tubulin, Dynein heavy chain, cytoplasmic, ...
Authors:Komori, Y, Nishida, N, Shimada, I, Kikkawa, M.
Deposit date:2019-07-19
Release date:2020-03-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Structural basis for two-way communication between dynein and microtubules.
Nat Commun, 11, 2020
6KIO
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BU of 6kio by Molmil
Complex of yeast cytoplasmic dynein MTBD-High and MT without DTT
Descriptor: Dynein heavy chain, cytoplasmic, Tubulin alpha-1A chain, ...
Authors:Komori, Y, Nishida, N, Shimada, I, Kikkawa, M.
Deposit date:2019-07-19
Release date:2020-03-04
Last modified:2020-03-11
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Structural basis for two-way communication between dynein and microtubules.
Nat Commun, 11, 2020
4HVI
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BU of 4hvi by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-1-methyl-2-oxo-2-piperidin-1-yl-ethyl)-amide
Descriptor: 2-cyclopropyl-N-[(2R)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVG
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BU of 4hvg by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-2-hydroxy-1,2-dimethyl-propyl)-amide
Descriptor: 2-cyclopropyl-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVH
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BU of 4hvh by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-2-hydroxy-1,2-dimethyl-propyl
Descriptor: 2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVD
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BU of 4hvd by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1,2,2-trimethyl-propyl)-amide
Descriptor: 1-phenylurea, 2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
6NV1
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BU of 6nv1 by Molmil
Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor
Descriptor: (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, ...
Authors:Thomaston, J.L, Liu, L, DeGrado, W.F.
Deposit date:2019-02-04
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Biochemistry, 59, 2020
8DNN
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BU of 8dnn by Molmil
Crystal structure of neutralizing antibody 80 in complex with SARS-CoV-2 receptor binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 80 FAB HEAVY CHAIN, 80 FAB LIGHT CHAIN, ...
Authors:Muthuraman, K, Kucharska, I, Ivanochko, D, Julien, J.P.
Deposit date:2022-07-11
Release date:2023-05-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:A multi-specific, multi-affinity antibody platform neutralizes sarbecoviruses and confers protection against SARS-CoV-2 in vivo.
Sci Transl Med, 15, 2023
2KQY
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BU of 2kqy by Molmil
Solution structure of Avian Thymic Hormone
Descriptor: Parvalbumin, thymic
Authors:Henzl, M.T.
Deposit date:2009-11-24
Release date:2010-04-07
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structure of Avian Thymic Hormone, a High-Affinity Avian beta-Parvalbumin, in the Ca(2+)-Free and Ca(2+)-Bound States.
J.Mol.Biol., 397, 2010
2LVJ
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BU of 2lvj by Molmil
solution structure of hemi-Mg-bound Phl p 7
Descriptor: MAGNESIUM ION, Polcalcin Phl p 7
Authors:Henzl, M.T, Tanner, J.J.
Deposit date:2012-07-05
Release date:2012-10-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structures of polcalcin Phl p 7 in three ligation states: Apo-, hemi-Mg(2+) -bound, and fully Ca(2+) -bound.
Proteins, 81, 2013
2LVI
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BU of 2lvi by Molmil
Solution structure of apo-Phl p 7
Descriptor: Polcalcin Phl p 7
Authors:Henzl, M.T, Tanner, J.J.
Deposit date:2012-07-05
Release date:2012-10-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structures of polcalcin Phl p 7 in three ligation states: Apo-, hemi-Mg(2+) -bound, and fully Ca(2+) -bound.
Proteins, 81, 2013
2LVK
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BU of 2lvk by Molmil
Solution structure of Ca-bound Phl p 7
Descriptor: CALCIUM ION, Polcalcin Phl p 7
Authors:Henzl, M.T, Sirianni, A.G, Tanner, J.J.
Deposit date:2012-07-05
Release date:2012-10-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structures of polcalcin Phl p 7 in three ligation states: Apo-, hemi-Mg(2+) -bound, and fully Ca(2+) -bound.
Proteins, 81, 2013
6KPO
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BU of 6kpo by Molmil
Crystal Structure of endo-beta-N-acetylglucosaminidase from Cordyceps militaris D154N/E156Q mutant in complex with fucosyl-N-acetylglucosamine-Asn
Descriptor: ASPARAGINE, Chitinase, DI(HYDROXYETHYL)ETHER, ...
Authors:Seki, H, Arakawa, T, Yamada, C, Takegawa, K, Fushinobu, S.
Deposit date:2019-08-15
Release date:2019-10-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural basis for the specific cleavage of core-fucosylatedN-glycans by endo-beta-N-acetylglucosaminidase from the fungusCordyceps militaris.
J.Biol.Chem., 294, 2019
6KPN
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BU of 6kpn by Molmil
Crystal Structure of endo-beta-N-acetylglucosaminidase from Cordyceps militaris D154N/E156Q mutant in complex with fucosyl-N-acetylglucosamine
Descriptor: Chitinase, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Seki, H, Arakawa, T, Yamada, C, Takegawa, K, Fushinobu, S.
Deposit date:2019-08-15
Release date:2019-10-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the specific cleavage of core-fucosylatedN-glycans by endo-beta-N-acetylglucosaminidase from the fungusCordyceps militaris.
J.Biol.Chem., 294, 2019

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