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8FEC
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BU of 8fec by Molmil
Structure of J-PKAc chimera complexed with Aplithianine derivative
Descriptor: 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
Deposit date:2022-12-06
Release date:2023-10-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
1REJ
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BU of 1rej by Molmil
Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 1
Descriptor: 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-HYDROXYBENZOATE, cAMP-dependent protein kinase, alpha-catalytic subunit
Authors:Akamine, P, Madhusudan, Brunton, L.L, Ou, H.D, Canaves, J.M, Xuong, N.H, Taylor, S.S.
Deposit date:2003-11-06
Release date:2004-02-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Balanol analogues probe specificity determinants and the conformational malleability of the cyclic 3',5'-adenosine monophosphate-dependent protein kinase catalytic subunit
Biochemistry, 43, 2004
3E8C
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BU of 3e8c by Molmil
Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors
Descriptor: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor peptide
Authors:Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
Deposit date:2008-08-19
Release date:2008-11-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
8FE2
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BU of 8fe2 by Molmil
Structure of J-PKAc chimera complexed with Aplithianine A
Descriptor: 6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine, DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Du, L, Wilson, B.A.P, Li, N, Dalilian, M, Wang, D, Martinez Fiesco, J.A, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
Deposit date:2022-12-05
Release date:2023-10-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
8FE5
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BU of 8fe5 by Molmil
Structure of J-PKAc chimera complexed with Aplithianine B
Descriptor: 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
Deposit date:2022-12-05
Release date:2023-10-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
6WBL
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BU of 6wbl by Molmil
Cryo-EM structure of human Pannexin 1 channel with deletion of N-terminal helix and C-terminal tail, in complex with CBX
Descriptor: CARBENOXOLONE, Pannexin-1
Authors:Lu, W, Du, J, Ruan, Z.
Deposit date:2020-03-26
Release date:2020-06-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (5.13 Å)
Cite:Structures of human pannexin 1 reveal ion pathways and mechanism of gating.
Nature, 584, 2020
2V5Y
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BU of 2v5y by Molmil
Crystal structure of the receptor protein tyrosine phosphatase mu ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE MU, SODIUM ION
Authors:Aricescu, A.R, Siebold, C, Choudhuri, K, Chang, V.T, Lu, W, Davis, S.J, van der Merwe, P.A, Jones, E.Y.
Deposit date:2007-07-11
Release date:2007-09-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of a Tyrosine Phosphatase Adhesive Interaction Reveals a Spacer-Clamp Mechanism.
Science, 317, 2007
5LCT
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BU of 5lct by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a R-methyl-piperazine substituted Fasudil-derivative (Ligand 02)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[(2~{R})-2-methylpiperazin-1-yl]sulfonylisoquinoline, METHANOL, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-06-22
Release date:2018-01-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.615 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5LCU
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BU of 5lcu by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a S-methyl-piperazine substituted Fasudil-derivative (Ligand 01)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE, METHANOL, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-06-22
Release date:2018-01-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.579 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5LDF
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BU of 5ldf by Molmil
Maltose binding protein genetically fused to dodecameric glutamine synthetase
Descriptor: Glutamine synthetase, Maltose-binding periplasmic protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Coscia, F, Petosa, C, Schoehn, G.
Deposit date:2016-06-25
Release date:2016-08-10
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Fusion to a homo-oligomeric scaffold allows cryo-EM analysis of a small protein.
Sci Rep, 6, 2016
1REK
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BU of 1rek by Molmil
Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 8
Descriptor: 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE, PENTANAL, cAMP-dependent protein kinase, ...
Authors:Akamine, P, Madhusudan, Brunton, L.L, Ou, H.D, Canaves, J.M, Xuong, N.H, Taylor, S.S.
Deposit date:2003-11-06
Release date:2004-02-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Balanol analogues probe specificity determinants and the conformational malleability of the cyclic 3',5'-adenosine monophosphate-dependent protein kinase catalytic subunit
Biochemistry, 43, 2004
5LF2
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BU of 5lf2 by Molmil
Crystal structure of laminin beta2 LE5-LF-LE6
Descriptor: CALCIUM ION, CHLORIDE ION, Laminin subunit beta-2
Authors:Pulido, D, Hohenester, E.
Deposit date:2016-06-30
Release date:2016-07-27
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystallographic analysis of the laminin beta 2 short arm reveals how the LF domain is inserted into a regular array of LE domains.
Matrix Biol., 57-58, 2017
6WJ3
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BU of 6wj3 by Molmil
CryoEM structure of the SLC38A9-RagA-RagC-Ragulator complex in the post-GAP state
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, ...
Authors:Fromm, S.A, Hurley, J.H.
Deposit date:2020-04-11
Release date:2020-09-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural mechanism for amino acid-dependent Rag GTPase nucleotide state switching by SLC38A9.
Nat.Struct.Mol.Biol., 27, 2020
6WJG
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BU of 6wjg by Molmil
PKA RIIbeta holoenzyme with DnaJB1-PKAc fusion in fibrolamellar hepatoceullar carcinoma
Descriptor: DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha fusion, cAMP-dependent protein kinase type II-beta regulatory subunit
Authors:Lu, T.-W, Aoto, P.C, Weng, J.-H, Nielsen, C, Cash, J.N, Hall, J, Zhang, P, Simon, S.M, Cianfrocco, M.A, Taylor, S.S.
Deposit date:2020-04-13
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Structural analyses of the PKA RII beta holoenzyme containing the oncogenic DnaJB1-PKAc fusion protein reveal protomer asymmetry and fusion-induced allosteric perturbations in fibrolamellar hepatocellular carcinoma.
Plos Biol., 18, 2020
8Y84
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BU of 8y84 by Molmil
Structure of the high affinity receptor fc(epsilon)ri TM
Descriptor: CHOLESTEROL HEMISUCCINATE, High affinity immunoglobulin epsilon receptor subunit alpha, High affinity immunoglobulin epsilon receptor subunit beta, ...
Authors:Du, S, Deng, M.J, Xiao, J.Y.
Deposit date:2024-02-05
Release date:2024-07-10
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural insights into the high-affinity IgE receptor Fc epsilon RI complex.
Nature, 2024
8Z0T
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BU of 8z0t by Molmil
Structure of the human ige-fc bound to its high affinity receptor fc(epsilon)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Du, S, Deng, M.J, Xiao, J.Y.
Deposit date:2024-04-10
Release date:2024-07-10
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Structural insights into the high-affinity IgE receptor Fc epsilon RI complex.
Nature, 2024
2VKC
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BU of 2vkc by Molmil
Solution structure of the B3BP Smr domain
Descriptor: NEDD4-BINDING PROTEIN 2
Authors:Diercks, T, Ab, E, Daniels, M.A, deJong, R.N, Besseling, R, Kaptein, R, Folkers, G.E.
Deposit date:2007-12-18
Release date:2008-10-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure and Characterization of the DNA- Binding Activity of the B3BP-Smr Domain.
J.Mol.Biol., 383, 2008
8XX0
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BU of 8xx0 by Molmil
Crystal structure of anti-IgE antibody HMK-12 Fab complexed with IgE F(ab')2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SPE7 immunoglobulin E F(ab')2 heavy chain, ...
Authors:Hirano, T, Koyanagi, A, Kasai, M, Okumura, K.
Deposit date:2024-01-17
Release date:2024-07-31
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Allosteric inhibition of IgE-Fc epsilon RI interactions by simultaneous targeting of IgE F(ab')2 epitopes.
Commun Biol, 7, 2024
8UN0
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BU of 8un0 by Molmil
Atomic model of the human CTF18-RFC-PCNA-DNA ternary complex with cracked and closed PCNA (state 7)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18 homolog, DNA (20-MER), ...
Authors:Wang, F, He, Q, Li, H.
Deposit date:2023-10-18
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM reveals a nearly complete PCNA loading process and unique features of the human alternative clamp loader CTF18-RFC.
Proc.Natl.Acad.Sci.USA, 121, 2024
8UMU
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BU of 8umu by Molmil
Atomic model of the human CTF18-RFC-PCNA binary complex in the four-subunit binding state (state 3)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18 homolog, MAGNESIUM ION, ...
Authors:Wang, F, He, Q, Li, H.
Deposit date:2023-10-18
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Cryo-EM reveals a nearly complete PCNA loading process and unique features of the human alternative clamp loader CTF18-RFC.
Proc.Natl.Acad.Sci.USA, 121, 2024
8UMY
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BU of 8umy by Molmil
Atomic model of the human CTF18-RFC-PCNA-DNA ternary complex with narrow PCNA opening state II (state 6)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18 homolog, DNA (20-MER), ...
Authors:Wang, F, He, Q, Li, H.
Deposit date:2023-10-18
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Cryo-EM reveals a nearly complete PCNA loading process and unique features of the human alternative clamp loader CTF18-RFC.
Proc.Natl.Acad.Sci.USA, 121, 2024
6I2C
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BU of 6i2c by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and Fasudil
Descriptor: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, beta-D-ribopyranose, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2018-11-01
Release date:2019-05-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
8UMW
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BU of 8umw by Molmil
Atomic model of the human CTF18-RFC-PCNA-DNA ternary complex in the five-subunit binding state (state 4)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18 homolog, DNA (20-MER), ...
Authors:Wang, F, He, Q, Li, H.
Deposit date:2023-10-18
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Cryo-EM reveals a nearly complete PCNA loading process and unique features of the human alternative clamp loader CTF18-RFC.
Proc.Natl.Acad.Sci.USA, 121, 2024
6I2A
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BU of 6i2a by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp153 and Fasudil
Descriptor: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, beta-D-ribopyranose, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2018-11-01
Release date:2019-05-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
8UOA
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BU of 8uoa by Molmil
Structure of the synaptic vesicle protein 2A Luminal domain in complex with a nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody, Synaptic vesicle glycoprotein 2A, ...
Authors:Mittal, A, Martin, M.F, Levin, E, Adams, C, Yang, M, Ledecq, M, Horanyi, P.S, Coleman, J.A.
Deposit date:2023-10-19
Release date:2024-05-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structures of synaptic vesicle protein 2A and 2B bound to anticonvulsants.
Nat.Struct.Mol.Biol., 2024

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