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1BFE
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BU of 1bfe by Molmil
THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95
Descriptor: PSD-95
Authors:Doyle, D.A, Lee, A, Lewis, J, Kim, E, Sheng, M, Mackinnon, R.
Deposit date:1998-05-20
Release date:1998-10-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of a complexed and peptide-free membrane protein-binding domain: molecular basis of peptide recognition by PDZ.
Cell(Cambridge,Mass.), 85, 1996
1BE9
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BU of 1be9 by Molmil
THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 IN COMPLEX WITH A C-TERMINAL PEPTIDE DERIVED FROM CRIPT.
Descriptor: CRIPT, PSD-95
Authors:Doyle, D.A, Lee, A, Lewis, J, Kim, E, Sheng, M, Mackinnon, R.
Deposit date:1998-05-20
Release date:1998-10-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structures of a complexed and peptide-free membrane protein-binding domain: molecular basis of peptide recognition by PDZ.
Cell(Cambridge,Mass.), 85, 1996
1BYW
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BU of 1byw by Molmil
STRUCTURE OF THE N-TERMINAL DOMAIN OF THE HUMAN-ERG POTASSIUM CHANNEL
Descriptor: PROTEIN (HUMAN ERG POTASSIUM CHANNEL)
Authors:Cabral, J.H.M, Lee, A, Mackinnon, R.
Deposit date:1998-10-15
Release date:1998-12-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure and Functional Analysis of the Herg Potassium Channel N-Terminus: A Eukaryotic Pas Domain
Cell(Cambridge,Mass.), 95, 1998
2A0L
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BU of 2a0l by Molmil
Crystal structure of KvAP-33H1 Fv complex
Descriptor: 33H1 Fv fragment, POTASSIUM ION, Voltage-gated potassium channel
Authors:Lee, S.Y, Lee, A, Chen, J, Mackinnon, R.
Deposit date:2005-06-16
Release date:2005-11-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structure of the KvAP voltage-dependent K+ channel and its dependence on the lipid membrane.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1LNQ
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BU of 1lnq by Molmil
CRYSTAL STRUCTURE OF MTHK AT 3.3 A
Descriptor: CALCIUM ION, POTASSIUM CHANNEL RELATED PROTEIN
Authors:Jiang, Y, Lee, A, Chen, J, Cadene, M, Chait, B.T, Mackinnon, R.
Deposit date:2002-05-03
Release date:2002-06-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:CRYSTAL STRUCTURE AND MECHANISM OF A CALCIUM-GATED POTASSIUM CHANNEL
Nature, 417, 2002
3PSA
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BU of 3psa by Molmil
Classification of a Haemophilus influenzae ABC transporter HI1470/71 through its cognate molybdate periplasmic binding protein MolA (MolA bound to tungstate)
Descriptor: TUNGSTATE(VI)ION, protein HI_1472
Authors:Tirado-Lee, L, Lee, A, Rees, D.C, Pinkett, H.W.
Deposit date:2010-12-01
Release date:2011-11-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Classification of a Haemophilus influenzae ABC Transporter HI1470/71 through Its Cognate Molybdate Periplasmic Binding Protein, MolA.
Structure, 19, 2011
3PSH
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BU of 3psh by Molmil
Classification of a Haemophilus influenzae ABC transporter HI1470/71 through its cognate molybdate periplasmic binding protein MolA (MolA bound to Molybdate)
Descriptor: MOLYBDATE ION, protein HI_1472
Authors:Tirado-Lee, L, Lee, A, Rees, D.C, Pinkett, H.W.
Deposit date:2010-12-01
Release date:2011-11-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Classification of a Haemophilus influenzae ABC Transporter HI1470/71 through Its Cognate Molybdate Periplasmic Binding Protein, MolA.
Structure, 19, 2011
7RRW
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BU of 7rrw by Molmil
Monomeric CRM197 expressed in E. coli
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Diphtheria toxin
Authors:Gallagher, D.T, Lees, A.
Deposit date:2021-08-10
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Monomeric crystal structure of the vaccine carrier protein CRM 197 and implications for vaccine development.
Acta Crystallogr.,Sect.F, 79, 2023
4JTA
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BU of 4jta by Molmil
Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ...
Authors:MacKinnon, R, Banerjee, A, Lee, A, Campbell, E.
Deposit date:2013-03-23
Release date:2013-06-12
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
4JTD
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BU of 4jtd by Molmil
Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Lys27Met mutant of Charybdotoxin
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ...
Authors:Banerjee, A, Lee, A, Campbell, E, MacKinnon, R.
Deposit date:2013-03-23
Release date:2013-06-12
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
4JTC
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BU of 4jtc by Molmil
Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin in Cs+
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Banerjee, A, Lee, A, Campbell, E, MacKinnon, R.
Deposit date:2013-03-23
Release date:2013-06-12
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
1ORS
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BU of 1ors by Molmil
X-ray structure of the KvAP potassium channel voltage sensor in complex with an Fab
Descriptor: 33H1 Fab heavy chain, 33H1 Fab light chain, potassium channel
Authors:Jiang, Y, Lee, A, Chen, J, Ruta, V, Cadene, M, Chait, B.T, MacKinnon, R.
Deposit date:2003-03-14
Release date:2003-05-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray structure of a voltage-dependent K+ channel
Nature, 423, 2003
1ORQ
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BU of 1orq by Molmil
X-ray structure of a voltage-dependent potassium channel in complex with an Fab
Descriptor: 6E1 Fab heavy chain, 6E1 Fab light chain, CADMIUM ION, ...
Authors:Jiang, Y, Lee, A, Chen, J, Ruta, V, Cadene, M, Chait, B.T, MacKinnon, R.
Deposit date:2003-03-14
Release date:2003-05-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:X-ray structure of a voltage-dependent K+ channel
Nature, 423, 2003
6NJX
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BU of 6njx by Molmil
C-terminal region of the Xanthomonas campestris pv. campestris OLD protein phased with mercury
Descriptor: IODIDE ION, MERCURY (II) ION, Xcc_ctr_Hg
Authors:Schiltz, C.J, Lee, A, Partlow, E.A, Hosford, C.J, Chappie, J.S.
Deposit date:2019-01-04
Release date:2019-08-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural characterization of Class 2 OLD family nucleases supports a two-metal catalysis mechanism for cleavage.
Nucleic Acids Res., 47, 2019
6NK8
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BU of 6nk8 by Molmil
C-terminal region of the Burkholderia pseudomallei OLD protein
Descriptor: Class 2 OLD family nuclease, MAGNESIUM ION
Authors:Schiltz, C.J, Lee, A, Partlow, E.A, Hosford, C.J, Chappie, J.S.
Deposit date:2019-01-05
Release date:2019-08-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural characterization of Class 2 OLD family nucleases supports a two-metal catalysis mechanism for cleavage.
Nucleic Acids Res., 47, 2019
6NJW
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BU of 6njw by Molmil
C-terminal region of the Xanthomonas campestris pv. campestris OLD protein phased with platinum
Descriptor: IODIDE ION, MAGNESIUM ION, PLATINUM (II) ION, ...
Authors:Schiltz, C.J, Lee, A, Partlow, E.A, Hosford, C.J, Chappie, J.S.
Deposit date:2019-01-04
Release date:2019-08-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural characterization of Class 2 OLD family nucleases supports a two-metal catalysis mechanism for cleavage.
Nucleic Acids Res., 47, 2019
6NJV
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BU of 6njv by Molmil
C-terminal region of the Xanthomonas campestris pv. campestris OLD protein phased with iodine
Descriptor: IODIDE ION, MAGNESIUM ION, Xcc_CTR_I
Authors:Schiltz, C.J, Lee, A, Partlow, E.A, Hosford, C.J, Chappie, J.S.
Deposit date:2019-01-04
Release date:2019-08-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization of Class 2 OLD family nucleases supports a two-metal catalysis mechanism for cleavage.
Nucleic Acids Res., 47, 2019
3LNM
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BU of 3lnm by Molmil
F233W mutant of the Kv2.1 paddle-Kv1.2 chimera channel
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, F233W mutant of the Kv2.1 paddle-Kv1.2 chimera, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Tao, X, Lee, A, Limapichat, W, Dougherty, D.A, MacKinnon, R.
Deposit date:2010-02-02
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A gating charge transfer center in voltage sensors.
Science, 328, 2010
2RVC
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BU of 2rvc by Molmil
Solution structure of Zalpha domain of goldfish ZBP-containing protein kinase
Descriptor: Interferon-inducible and double-stranded-dependent eIF-2kinase
Authors:Lee, A, Park, C, Park, J, Kwon, M, Choi, Y, Kim, K, Choi, B, Lee, J.
Deposit date:2015-07-08
Release date:2016-02-03
Last modified:2017-06-07
Method:SOLUTION NMR
Cite:Solution structure of the Z-DNA binding domain of PKR-like protein kinase from Carassius auratus and quantitative analyses of the intermediate complex during B-Z transition.
Nucleic Acids Res., 44, 2016
6ICI
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BU of 6ici by Molmil
Crystal structure of human MICAL3
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, [F-actin]-monooxygenase MICAL3
Authors:Hwang, K.Y, Kim, J.S.
Deposit date:2018-09-06
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and kinetic insights into flavin-containing monooxygenase and calponin-homology domains in human MICAL3.
Iucrj, 7, 2020
5UIS
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BU of 5uis by Molmil
Crystal structure of IRAK4 in complex with compound 12
Descriptor: 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide, Interleukin-1 receptor-associated kinase 4
Authors:Han, S, Chang, J.S.
Deposit date:2017-01-14
Release date:2017-05-24
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIQ
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BU of 5uiq by Molmil
Crystal structure of IRAK4 in complex with compound 9
Descriptor: 2-[(propan-2-yl)oxy]benzamide, Interleukin-1 receptor-associated kinase 4
Authors:Han, S, Chang, J.S.
Deposit date:2017-01-14
Release date:2017-05-24
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIR
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BU of 5uir by Molmil
Crystal structure of IRAK4 in complex with compound 11
Descriptor: 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide, Interleukin-1 receptor-associated kinase 4
Authors:Han, S, Chang, J.S.
Deposit date:2017-01-14
Release date:2017-05-24
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIT
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BU of 5uit by Molmil
Crystal structure of IRAK4 in complex with compound 14
Descriptor: 1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4
Authors:Han, S, Chang, J.S.
Deposit date:2017-01-14
Release date:2017-05-24
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIU
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BU of 5uiu by Molmil
Crystal structure of IRAK4 in complex with compound 30
Descriptor: 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4
Authors:Han, S, Chang, J.S.
Deposit date:2017-01-14
Release date:2017-05-24
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017

 

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