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4Y21
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BU of 4y21 by Molmil
Crystal Structure of Munc13-1 MUN domain
Descriptor: Protein unc-13 homolog A
Authors:Yang, X.Y, Wang, S, Sheng, Y, Zhang, M, Zou, W.J, Wu, L.J, Kang, L.J, Rizo, J, Zhang, R.G, Xu, T, Ma, C.
Deposit date:2015-02-09
Release date:2015-06-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Syntaxin opening by the MUN domain underlies the function of Munc13 in synaptic-vesicle priming.
Nat.Struct.Mol.Biol., 22, 2015
4XW5
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BU of 4xw5 by Molmil
X-ray structure of PKAc with ATP, CP20, calcium ions
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A.
Deposit date:2015-01-28
Release date:2015-05-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J.Biol.Chem., 290, 2015
4UJA
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BU of 4uja by Molmil
Protein Kinase A in complex with an Inhibitor
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one, BROMIDE ION, ...
Authors:Alam, K.A, Engh, R.A.
Deposit date:2015-04-09
Release date:2016-04-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic.
Chemistry, 22, 2016
4UJ2
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BU of 4uj2 by Molmil
Protein Kinase A in complex with an Inhibitor
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(3S,4R)-4-(3-iodanylphenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
Authors:Alam, K.A, Engh, R.A.
Deposit date:2015-04-07
Release date:2016-04-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.019 Å)
Cite:Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic.
Chemistry, 22, 2016
4UJB
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BU of 4ujb by Molmil
Protein Kinase A in complex with an Inhibitor
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(3S,4R)-4-(3-fluorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
Authors:Alam, K.A, Engh, R.A.
Deposit date:2015-04-09
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic.
Chemistry, 22, 2016
4X9R
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BU of 4x9r by Molmil
PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 3B
Descriptor: Phosphopeptide macrocycle 3B, Serine/threonine-protein kinase PLK1
Authors:Grant, R.A, Qian, W.-J, Yaffe, M.B, Burke, T.R.
Deposit date:2014-12-11
Release date:2015-07-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Biopolymers, 104, 2015
4UJ9
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BU of 4uj9 by Molmil
Protein Kinase A in complex with an Inhibitor
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(3S,4R)-4-[4-(trifluoromethyl)phenyl]carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Alam, K.A, Engh, R.A.
Deposit date:2015-04-09
Release date:2016-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic.
Chemistry, 22, 2016
6QKC
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BU of 6qkc by Molmil
GluA1/2 In complex with auxiliary subunit gamma-8
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide, Glutamate receptor 1, ...
Authors:Herguedas, B, Garcia-Nafria, J, Greger, I.G.
Deposit date:2019-01-28
Release date:2019-03-27
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Architecture of the heteromeric GluA1/2 AMPA receptor in complex with the auxiliary subunit TARP gamma 8.
Science, 364, 2019
4UJ1
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BU of 4uj1 by Molmil
Protein Kinase A in complex with an Inhibitor
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
Authors:Alam, K.A, Engh, R.A.
Deposit date:2015-04-07
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.768 Å)
Cite:Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic.
Chemistry, 22, 2016
6RZV
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BU of 6rzv by Molmil
Structure of s-Mgm1 decorating the inner surface of tubulated lipid membranes
Descriptor: Putative mitochondrial dynamin protein
Authors:Faelber, K, Dietrich, L, Noel, J.K, Sanchez, R, Kudryashev, M, Kuelbrandt, W, Daumke, O.
Deposit date:2019-06-13
Release date:2019-07-24
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (20.6 Å)
Cite:Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1.
Nature, 571, 2019
6S19
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BU of 6s19 by Molmil
Structure of thaumatin determined at SwissFEL using native-SAD at 4.57 keV from all available diffraction patterns
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.Ch.
Deposit date:2019-06-18
Release date:2020-07-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
6S1D
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BU of 6s1d by Molmil
Structure of thaumatin determined at SwissFEL using native-SAD at 4.57 keV from 20,000 diffraction patterns
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C.
Deposit date:2019-06-18
Release date:2020-07-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
6S1G
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BU of 6s1g by Molmil
Structure of thaumatin determined at SwissFEL using native-SAD at 6.06 keV from 50,000 diffraction patterns.
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C.
Deposit date:2019-06-18
Release date:2020-07-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
4WB8
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BU of 4wb8 by Molmil
Crystal structure of human cAMP-dependent protein kinase A (catalytic alpha subunit), exon 1 deletion
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Cheung, J, Ginter, C, Cassidy, M, Franklin, M.C, Rudolph, M.J, Hendrickson, W.A.
Deposit date:2014-09-02
Release date:2015-01-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insights into mis-regulation of protein kinase A in human tumors.
Proc.Natl.Acad.Sci.USA, 112, 2015
4U90
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BU of 4u90 by Molmil
GephE in complex with PEG crosslinked GABA receptor alpha3 subunit derived dimeric peptide
Descriptor: 1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione), 1,4-BUTANEDIOL, Gamma-aminobutyric acid receptor subunit alpha-3, ...
Authors:Kasaragod, V.B, Maric, H.M, Schindelin, H.
Deposit date:2014-08-05
Release date:2014-12-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Synthesis of High-Affinity Dimeric Inhibitors Targeting the Interactions between Gephyrin and Inhibitory Neurotransmitter Receptors.
Angew.Chem.Int.Ed.Engl., 54, 2015
6QKZ
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BU of 6qkz by Molmil
Full length GluA1/2-gamma8 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide, ...
Authors:Herguedas, B, Garcia-Nafria, J, Greger, I.G.
Deposit date:2019-01-30
Release date:2019-03-27
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Architecture of the heteromeric GluA1/2 AMPA receptor in complex with the auxiliary subunit TARP gamma 8.
Science, 364, 2019
6QJ7
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BU of 6qj7 by Molmil
Difluorophenyl diacylhydrazides: Potent inhibitors of Serum- and Glucocorticoid-inducible Kinase 1 (SGK1)
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N}'-[(2~{S})-2-[3,5-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoyl]-2-ethyl-3-methyl-4-oxidanyl-benzohydrazide
Authors:Graedler, U.
Deposit date:2019-01-23
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Difluorophenyl diacylhydrazides: Potent inhibitors of Serum- and Glucocorticoid-inducible Kinase 1 (SGK1)
To Be Published
4XW4
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BU of 4xw4 by Molmil
X-ray structure of PKAc with AMPPNP, SP20, calcium ions
Descriptor: CALCIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A.
Deposit date:2015-01-28
Release date:2015-05-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J.Biol.Chem., 290, 2015
6QU8
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BU of 6qu8 by Molmil
Adenovirus Serotype 26 (Ad26) in complex with sialic acid, pH8.0
Descriptor: 1,2-ETHANEDIOL, Fiber, N-acetyl-alpha-neuraminic acid, ...
Authors:Baker, A.T, Rizkallah, P.J, Parker, A.L, Mundy, R.M.
Deposit date:2019-02-26
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Human adenovirus type 26 uses sialic acid-bearing glycans as a primary cell entry receptor.
Sci Adv, 5, 2019
6SPM
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BU of 6spm by Molmil
Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-(trifluoromethyl)benzoic acid
Descriptor: 4-(trifluoromethyl)benzoic acid, DIMETHYL SULFOXIDE, METHANOL, ...
Authors:Oebbeke, M, Siefker, C, Heine, A, Klebe, G.
Deposit date:2019-09-02
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
6SPU
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BU of 6spu by Molmil
Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 3-aminobenzoic acid
Descriptor: 3-AMINOBENZOIC ACID, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Oebbeke, M, Siefker, C, Heine, A, Klebe, G.
Deposit date:2019-09-02
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
6SQ1
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BU of 6sq1 by Molmil
Crystal structure of cAMP-dependent Protein Kinase A (CHO PKA) in complex with Aminofasudil
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine, DIMETHYL SULFOXIDE, ...
Authors:Oebbeke, M, Siefker, C, Heine, A, Klebe, G.
Deposit date:2019-09-03
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A crystallographic study of cAMP-dependent Protein Kinase A in complex with different Fasudil-derivatives
To Be Published
6S1E
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BU of 6s1e by Molmil
Structure of thaumatin determined at SwissFEL using native-SAD at 6.06 keV from all available diffraction patterns
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C.
Deposit date:2019-06-18
Release date:2020-07-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
7K0B
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BU of 7k0b by Molmil
The internal aldimine form of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with cesium ion at the metal coordination site. A random beta-P270L mutation was inserted during PCR step
Descriptor: 1,2-ETHANEDIOL, BICINE, CESIUM ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2020-09-04
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:The internal aldimine form of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with cesium ion at the metal coordination site. A random beta-P270L mutation was inserted during PCR step.
To be Published
3RL7
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BU of 3rl7 by Molmil
Crystal structure of hDLG1-PDZ1 complexed with APC
Descriptor: 11-mer peptide from Adenomatous polyposis coli protein, Disks large homolog 1
Authors:Zhang, Z, Li, H, Wu, G.
Deposit date:2011-04-19
Release date:2011-12-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for the recognition of adenomatous polyposis coli by the Discs Large 1 protein.
Plos One, 6, 2011

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