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4LRM
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BU of 4lrm by Molmil
EGFR D770_N771insNPG in complex with PD168393
Descriptor: Epidermal growth factor receptor, N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide
Authors:Yun, C.H, Eck, M.J.
Deposit date:2013-07-20
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.526 Å)
Cite:Structural, Biochemical, and Clinical Characterization of Epidermal Growth Factor Receptor (EGFR) Exon 20 Insertion Mutations in Lung Cancer.
Sci Transl Med, 5, 2013
2LY3
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BU of 2ly3 by Molmil
Solution structure of TamA POTRA domain I
Descriptor: Translocation and assembly module TamA
Authors:Headey, S, Belousoff, M, Lithgow, T.
Deposit date:2012-09-11
Release date:2014-03-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The C-terminal beta-signal-like motif of TamB facilitates efficient autotransporter secretion.
To be Published
1SO8
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BU of 1so8 by Molmil
Abeta-bound human ABAD structure [also known as 3-hydroxyacyl-CoA dehydrogenase type II (Type II HADH), Endoplasmic reticulum-associated amyloid beta-peptide binding protein (ERAB)]
Descriptor: 3-hydroxyacyl-CoA dehydrogenase type II, CHLORIDE ION, SODIUM ION
Authors:Lustbader, J.W, Cirilli, M, Wu, H.
Deposit date:2004-03-13
Release date:2004-05-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:ABAD directly links Abeta to mitochondrial toxicity in Alzheimer's disease.
Science, 304, 2004
2ISC
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BU of 2isc by Molmil
Crystal structure of Purine Nucleoside Phosphorylase from Trichomonas vaginalis with DADMe-Imm-A
Descriptor: (3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN-3-OL, PHOSPHATE ION, purine nucleoside phosphorylase
Authors:Rinaldo-Matthis, A, Almo, S.C, Schramm, V.L.
Deposit date:2006-10-17
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Inhibition and structure of Trichomonas vaginalis purine nucleoside phosphorylase with picomolar transition state analogues
Biochemistry, 46, 2007
4NKN
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BU of 4nkn by Molmil
The Crystal Structure of the N-terminal domain of COMMD9
Descriptor: COMM domain-containing protein 9
Authors:Hospenthal, M, Celligoi, D, Lott, J.S.
Deposit date:2013-11-12
Release date:2014-11-26
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural insights into the architecture and membrane interactions of the conserved COMMD proteins.
Elife, 7, 2018
4OYJ
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BU of 4oyj by Molmil
Structure of the apo HOIP PUB domain
Descriptor: E3 ubiquitin-protein ligase RNF31, SULFATE ION
Authors:Elliott, P.R, Komander, D.
Deposit date:2014-02-12
Release date:2014-05-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular Basis and Regulation of OTULIN-LUBAC Interaction.
Mol.Cell, 54, 2014
4OGX
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BU of 4ogx by Molmil
Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.4 Angstrom resolution
Descriptor: DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, Plasma kallikrein, ...
Authors:Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R.
Deposit date:2014-01-16
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibition of plasma kallikrein by a highly specific active site blocking antibody.
J.Biol.Chem., 289, 2014
1MOZ
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BU of 1moz by Molmil
ADP-ribosylation factor-like 1 (ARL1) from Saccharomyces cerevisiae
Descriptor: ADP-ribosylation factor-like protein 1, GUANOSINE-5'-DIPHOSPHATE
Authors:Amor, J.C, Horton, J.R, Zhu, X, Wang, Y, Sullards, C, Ringe, D, Cheng, X, Kahn, R.A.
Deposit date:2002-09-10
Release date:2002-10-09
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Structures of Yeast ARF2 and ARL1: DISTINCT ROLES FOR THE N TERMINUS IN THE STRUCTURE AND FUNCTION OF ARF FAMILY GTPases
J.Biol.Chem., 276, 2001
4O8U
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BU of 4o8u by Molmil
Structure of PF2046
Descriptor: Uncharacterized protein PF2046
Authors:Su, J, Liu, Z.-J.
Deposit date:2013-12-30
Release date:2014-04-30
Method:X-RAY DIFFRACTION (2.345 Å)
Cite:Crystal structure of a novel non-Pfam protein PF2046 solved using low resolution B-factor sharpening and multi-crystal averaging methods
Protein Cell, 1, 2010
4OGY
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BU of 4ogy by Molmil
Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.1 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, ...
Authors:Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R.
Deposit date:2014-01-16
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of plasma kallikrein by a highly specific active site blocking antibody.
J.Biol.Chem., 289, 2014
4OYK
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BU of 4oyk by Molmil
Structure of HOIP PUB domain bound to OTULIN PIM
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, Ubiquitin thioesterase otulin
Authors:Elliott, P.R, Komander, D.
Deposit date:2014-02-12
Release date:2014-05-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.0001 Å)
Cite:Molecular Basis and Regulation of OTULIN-LUBAC Interaction.
Mol.Cell, 54, 2014
4JZI
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BU of 4jzi by Molmil
Crystal Structure of Matriptase in complex with Inhibitor".
Descriptor: N-(trans-4-aminocyclohexyl)-2,6-bis(4-carbamimidoylphenoxy)pyridine-4-carboxamide, Suppressor of tumorigenicity 14 protein
Authors:Subramanya, H.S, Chandra, R.B, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S.
Deposit date:2013-04-03
Release date:2014-02-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors
ACS MED.CHEM.LETT., 4, 2013
2M4Q
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BU of 2m4q by Molmil
NMR structure of E. coli ribosomela decoding site with apramycin
Descriptor: APRAMYCIN, RNA (27-MER)
Authors:Puglisi, J.D, Tsai, A, Marshall, R, Viani, E.
Deposit date:2013-02-10
Release date:2013-03-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The impact of aminoglycosides on the dynamics of translation elongation.
Cell Rep, 3, 2013
4O97
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BU of 4o97 by Molmil
Crystal structure of matriptase in complex with inhibitor
Descriptor: N-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein
Authors:Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S.
Deposit date:2014-01-02
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy.
Bioorg.Med.Chem., 22, 2014
7W2P
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BU of 7w2p by Molmil
Tudor domain of SMN in complex with a small molecule
Descriptor: 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-dien-8-imine, MAGNESIUM ION, Survival motor neuron protein, ...
Authors:Li, W, Arrowsmith, C.H, Edwards, A.M, Liu, Y, Min, J.
Deposit date:2021-11-24
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
4OE9
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BU of 4oe9 by Molmil
The crystal structure of the n-terminal domain of COMMD9
Descriptor: CITRIC ACID, COMM domain-containing protein 9, POTASSIUM ION
Authors:Hospenthal, M, Celligoi, D, Lott, J.S.
Deposit date:2014-01-12
Release date:2015-03-04
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insights into the architecture and membrane interactions of the conserved COMMD proteins.
Elife, 7, 2018
7W30
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BU of 7w30 by Molmil
Tudor domain of SMN in complex with a small molecule
Descriptor: 1,2-dimethylquinolin-4-imine, Survival motor neuron protein, UNKNOWN ATOM OR ION
Authors:Li, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Liu, Y, Min, J.
Deposit date:2021-11-24
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
4O9V
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BU of 4o9v by Molmil
Crystal structure of matriptase in complex with inhibitor
Descriptor: N-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein
Authors:Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S.
Deposit date:2014-01-03
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy.
Bioorg.Med.Chem., 22, 2014
3VU5
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BU of 3vu5 by Molmil
Short peptide HIV entry Inhibitor SC22EK
Descriptor: AMMONIUM ION, SC22, SULFATE ION, ...
Authors:Yao, X, Chong, H.H, Waltersperger, S, Wang, M.T, He, Y.X, Cui, S.
Deposit date:2012-06-19
Release date:2012-12-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.087 Å)
Cite:Short-peptide fusion inhibitors with high potency against wild-type and enfuvirtide-resistant HIV-1
Faseb J., 27, 2013
7XI3
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BU of 7xi3 by Molmil
Crystal Structure of the NPAS4-ARNT2 heterodimer in complex with DNA
Descriptor: Aryl hydrocarbon receptor nuclear translocator 2, DNA (5'-D(P*CP*CP*AP*TP*CP*AP*CP*TP*CP*AP*CP*GP*AP*CP*CP*T)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*TP*GP*AP*T)-3'), ...
Authors:Sun, X.N, Jing, L.Q, Li, F.W, Wu, D.L.
Deposit date:2022-04-11
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (4.274 Å)
Cite:Structures of NPAS4-ARNT and NPAS4-ARNT2 heterodimers reveal new dimerization modalities in the bHLH-PAS transcription factor family.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XI4
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BU of 7xi4 by Molmil
Crystal Structure of the NPAS4-ARNT heterodimer in complex with DNA
Descriptor: Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(*GP*GP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*CP*CP*AP*TP*CP*AP*CP*TP*CP*AP*CP*GP*AP*CP*CP*T)-3'), ...
Authors:Sun, X.N, Jing, L.Q, Li, F.W, Wu, D.L.
Deposit date:2022-04-12
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (4.707 Å)
Cite:Structures of NPAS4-ARNT and NPAS4-ARNT2 heterodimers reveal new dimerization modalities in the bHLH-PAS transcription factor family.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XHV
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BU of 7xhv by Molmil
Crystal Structure of the NPAS4-ARNT heterodimer in complex with DNA
Descriptor: Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(P*CP*CP*AP*TP*CP*AP*CP*TP*CP*AP*CP*GP*AP*CP*CP*T)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*TP*GP*AP*T)-3'), ...
Authors:Sun, X.N, Jing, L.Q, Li, F.W, Wu, D.L.
Deposit date:2022-04-10
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.996 Å)
Cite:Structures of NPAS4-ARNT and NPAS4-ARNT2 heterodimers reveal new dimerization modalities in the bHLH-PAS transcription factor family.
Proc.Natl.Acad.Sci.USA, 119, 2022
6HHO
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BU of 6hho by Molmil
Crystal structure of RIP1 kinase in complex with GSK547
Descriptor: 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1
Authors:Thorpe, J.H, Harris, P.A.
Deposit date:2018-08-28
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:RIP1 Kinase Drives Macrophage-Mediated Adaptive Immune Tolerance in Pancreatic Cancer.
Cancer Cell, 34, 2018
4PUB
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BU of 4pub by Molmil
Crystal structure of Fab DX-2930
Descriptor: CHLORIDE ION, DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN
Authors:Abendroth, J, Edwards, T.E, Nixon, A, Ladner, R.
Deposit date:2014-03-12
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inhibition of plasma kallikrein by a highly specific active site blocking antibody.
J.Biol.Chem., 289, 2014
3VOZ
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BU of 3voz by Molmil
Crystal structure of human glutaminase in complex with BPTES
Descriptor: Glutaminase kidney isoform, mitochondrial, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ...
Authors:Thangavelu, K, Sivaraman, J.
Deposit date:2012-02-23
Release date:2012-06-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012

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