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1RXM
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BU of 1rxm by Molmil
C-terminal region of FEN-1 bound to A. fulgidus PCNA
Descriptor: DNA polymerase sliding clamp, consensus FEN-1 peptide
Authors:Chapados, B.R, Hosfield, D.J, Han, S, Qiu, J, Yelent, B, Shen, B, Tainer, J.A.
Deposit date:2003-12-18
Release date:2004-01-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for FEN-1 Substrate Specificity and PCNA-Mediated Activation in DNA Replication and Repair
Cell(Cambridge,Mass.), 116, 2004
6TMO
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BU of 6tmo by Molmil
Structure determination of an enhanced affinity TCR, a24b17, in complex with HLA-A*02:01 presenting a MART-1 peptide, EAAGIGILTV
Descriptor: 1,2-ETHANEDIOL, Alpha chain of engineered high affinity T-cell receptor, Beta chain of high affinity engineered T-cell receptor, ...
Authors:Rizkallah, P.J, Cole, D.K.
Deposit date:2019-12-05
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Rules Underpinning Enhanced Affinity Binding of Human T Cell Receptors Engineered for Immunotherapy.
Mol Ther Oncolytics, 18, 2020
3RK3
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BU of 3rk3 by Molmil
Truncated SNARE complex with complexin
Descriptor: Complexin-1, SNAP25, Syntaxin 1a, ...
Authors:Kuemmel, D, Reinisch, K.M.
Deposit date:2011-04-17
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Complexin cross-links prefusion SNAREs into a zigzag array.
Nat.Struct.Mol.Biol., 18, 2011
6TTL
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BU of 6ttl by Molmil
crystal structure of [FeFe]-hydrogenase CbA5H (partial) from Clostridium beijerinckii in Hinact state
Descriptor: IRON/SULFUR CLUSTER, [FeFe]-hydrogenase, dicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethanethiolatato-1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+)
Authors:Duan, J, Rutz, A, Hofmann, E, Happe, T.
Deposit date:2019-12-28
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A safety cap protects hydrogenase from oxygen attack.
Nat Commun, 12, 2021
6KO6
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BU of 6ko6 by Molmil
Crystal structure of AMPPNP bound Cka1 from C. neoformans
Descriptor: CMGC/CK2 protein kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Cho, H.S, Yoo, Y.
Deposit date:2019-08-08
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural analysis of fungal pathogenicity-related casein kinase alpha subunit, Cka1, in the human fungal pathogen Cryptococcus neoformans.
Sci Rep, 9, 2019
5JRS
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BU of 5jrs by Molmil
CRYSTAL STRUCTURE OF BRUTON AGAMMAGLOBULINEMIA TYROSINE KINASE COMPLEXED WITH 4-[2-FLUORO-3-(4-OXO -3,4-DIHYDROQUINAZOLIN-3-YL)PHENYL]-7-(2-HYDROXYPROPAN-2-Y L)-9H-CARBAZOLE-1-CARBOXAMIDE
Descriptor: 4-[2-fluoro-3-(4-oxoquinazolin-3(4H)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide, Tyrosine-protein kinase BTK
Authors:Muckelbauer, J.K.
Deposit date:2016-05-06
Release date:2016-08-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Small Molecule Reversible Inhibitors of Bruton's Tyrosine Kinase (BTK): Structure-Activity Relationships Leading to the Identification of 7-(2-Hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide (BMS-935177).
J.Med.Chem., 59, 2016
2QY9
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BU of 2qy9 by Molmil
Structure of the NG+1 construct of the E. coli SRP receptor FtsY
Descriptor: Cell division protein ftsY
Authors:Parlitz, R, Bange, G, Wild, K, Sinning, I.
Deposit date:2007-08-14
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The E. coli SRP-receptor FTSY contains an essential and autonomous membrane-binding amphipathic helix
To be Published
5JUH
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BU of 5juh by Molmil
Crystal structure of C-terminal domain (RV) of MpAFP
Descriptor: Antifreeze protein, CALCIUM ION
Authors:Guo, S.
Deposit date:2016-05-10
Release date:2017-07-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice.
Sci Adv, 3, 2017
4IGE
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BU of 4ige by Molmil
Crystal structure of Plasmodium falciparum FabI complexed with NAD and inhibitor 7-(4-Chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one
Descriptor: 7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one, Enoyl-acyl carrier reductase, GLYCEROL, ...
Authors:Kostrewa, D, Perozzo, R.
Deposit date:2012-12-17
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Design, Synthesis, and Biological and Crystallographic Evaluation of Novel Inhibitors of Plasmodium falciparum Enoyl-ACP-reductase (PfFabI)
J.Med.Chem., 56, 2013
5KAE
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BU of 5kae by Molmil
Crystal structure of human PI3K-gamma in complex with quinoline-containing inhibitor 5g
Descriptor: 4-azanyl-6-[[(1~{S})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2016-06-01
Release date:2017-06-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and in vivo evaluation of the potent and selective PI3K-delta inhibitors AM-0687 and AM-1430
To Be Published
3OIA
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BU of 3oia by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8GluEtg-Bio
Descriptor: Camphor 5-monooxygenase, N-{15-oxo-19-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10-trioxa-14-azanonadec-1-yl}-N'-(8-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}octyl)pentanediamide, POTASSIUM ION, ...
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-08-18
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8GluEtg-Bio
To be Published
2R7P
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BU of 2r7p by Molmil
Crystal Structure of H225A NSP2 and AMPPNP complex
Descriptor: Non-structural RNA-binding protein 35, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Kumar, M, Prasad, B.V.V.
Deposit date:2007-09-09
Release date:2007-10-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic and Biochemical Analysis of Rotavirus NSP2 with Nucleotides Reveals a Nucleoside Diphosphate Kinase-Like Activity
J.Virol., 81, 2007
6LN5
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BU of 6ln5 by Molmil
CryoEM structure of SERCA2b T1032stop in E1-2Ca2+-AMPPCP (class1)
Descriptor: CALCIUM ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Zhang, Y, Tsutsumi, A, Watanabe, S, Inaba, K.
Deposit date:2019-12-28
Release date:2020-08-26
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structures of SERCA2b reveal the mechanism of regulation by the luminal extension tail.
Sci Adv, 6, 2020
3P6U
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BU of 3p6u by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC3-C6-Dans
Descriptor: Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC3-C6-Dans
To be Published
3P6X
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BU of 3p6x by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC3-C8-Dans
Descriptor: Camphor 5-monooxygenase, N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]propanamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC3-C8-Dans
To be Published
6LN7
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BU of 6ln7 by Molmil
CryoEM structure of SERCA2b T1032stop in E1-2Ca2+-AMPPCP (class3)
Descriptor: CALCIUM ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Zhang, Y, Tsutsumi, A, Watanabe, S, Inaba, K.
Deposit date:2019-12-28
Release date:2020-08-26
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structures of SERCA2b reveal the mechanism of regulation by the luminal extension tail.
Sci Adv, 6, 2020
8K9X
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BU of 8k9x by Molmil
Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 5 (ADKI5)
Descriptor: (2~{S})-2,6-bis(azanyl)-~{N}-[3-[2-[[4-[(2,5-dimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]sulfonylpropyl]hexanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lysine--tRNA ligase
Authors:Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
Deposit date:2023-08-01
Release date:2024-06-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
8K9V
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BU of 8k9v by Molmil
Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 3 (ADKI3)
Descriptor: GLYCEROL, LYSINE, Lysine--tRNA ligase, ...
Authors:Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
Deposit date:2023-08-01
Release date:2024-06-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
3P6V
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BU of 3p6v by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog 3Et-AdaC1-Etg-Boc
Descriptor: Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog 3Et-AdaC1-Etg-Boc
To be Published
4IXC
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BU of 4ixc by Molmil
Crystal structure of Human Glucokinase in complex with a small molecule activator.
Descriptor: (2S)-2-{[1-(3-chloropyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide, Glucokinase isoform 3, SODIUM ION, ...
Authors:Ogg, D.J, Hargreaves, D, Gerhardt, S.
Deposit date:2013-01-25
Release date:2013-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Matched triplicate design sets in the optimisation of glucokinase activators maximising medicinal chemistry information content
To be Published
3P6S
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BU of 3p6s by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC2-C8-Dans
Descriptor: Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC2-C8-Dans
To be Published
8K9S
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BU of 8k9s by Molmil
Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 1 (ADKI1)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LYSINE, Lysine--tRNA ligase, ...
Authors:Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
Deposit date:2023-08-01
Release date:2024-06-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
8K9U
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BU of 8k9u by Molmil
Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 2 (ADKI2)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LYSINE, Lysine--tRNA ligase, ...
Authors:Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
Deposit date:2023-08-01
Release date:2024-06-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
4J3I
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BU of 4j3i by Molmil
X-ray crystal structure of bromodomain complex to 1.24 A resolution
Descriptor: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4, ...
Authors:Stein, A.J, White, A, Suto, R.K.
Deposit date:2013-02-05
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:RVX-208, an Inducer of ApoA-I in Humans, Is a BET Bromodomain Antagonist.
Plos One, 8, 2013
8K9W
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BU of 8k9w by Molmil
Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 4 (ADKI4)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lysine--tRNA ligase, ~{N}2-(2-methoxyphenyl)-~{N}4-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
Authors:Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
Deposit date:2023-08-01
Release date:2024-06-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024

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