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6WK3
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BU of 6wk3 by Molmil
Engineered carbene transferase RmaNOD Q52V, putative nitric oxide dioxygenase from Rhodothermus marinus
Descriptor: ACETATE ION, COPPER (II) ION, Nitric oxide dioxygenase, ...
Authors:Knight, A.M, Arnold, F.H.
Deposit date:2020-04-15
Release date:2020-07-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Diversity-Oriented Enzymatic Synthesis of Cyclopropane Building Blocks.
Acs Catalysis, 10, 2020
6YOU
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BU of 6you by Molmil
Crystal structure of the cAMP-dependent protein kinase A in complex with Pyrido[3,2-d]pyrimidin-4-amine (soaked)
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, pyrido[3,2-d]pyrimidin-4-amine
Authors:Oebbeke, M, Heine, A, Klebe, G.
Deposit date:2020-04-15
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
6YOT
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BU of 6yot by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with N,N-dimethylisoquinoline-5-sulfonamide and PKI (5-24)
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N},~{N}-dimethylisoquinoline-5-sulfonamide
Authors:Oebbeke, M, Heine, A, Klebe, G.
Deposit date:2020-04-15
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
6WJN
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BU of 6wjn by Molmil
SD-like state of human 26S Proteasome with non-cleavable M1-linked hexaubiquitin and E3 ubiquitin ligase E6AP/UBE3A
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
Authors:Chen, X, Walters, K.J.
Deposit date:2020-04-14
Release date:2020-08-05
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Cryo-EM Reveals Unanchored M1-Ubiquitin Chain Binding at hRpn11 of the 26S Proteasome.
Structure, 28, 2020
6YNY
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BU of 6yny by Molmil
Cryo-EM structure of Tetrahymena thermophila mitochondrial ATP synthase - F1Fo composite dimer model
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Kock Flygaard, R, Muhleip, A, Amunts, A.
Deposit date:2020-04-14
Release date:2020-09-30
Last modified:2020-11-11
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Type III ATP synthase is a symmetry-deviated dimer that induces membrane curvature through tetramerization.
Nat Commun, 11, 2020
6YOC
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BU of 6yoc by Molmil
Structure of Lysozyme from COC IMISX setup collected by still serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, BROMIDE ION, ...
Authors:Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M.
Deposit date:2020-04-14
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
6YNT
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BU of 6ynt by Molmil
Crystal structure of the cAMP-dependent protein kinase A in complex with aminofasudil and PKI (5-24)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine, ...
Authors:Oebbeke, M, Gerber, H.-D, Heine, A, Klebe, G.
Deposit date:2020-04-14
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses.
Chemmedchem, 16, 2021
6YO1
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BU of 6yo1 by Molmil
Crystal structure of ribonuclease A solved by vanadium SAD phasing
Descriptor: Ribonuclease pancreatic, URIDINE-2',3'-VANADATE
Authors:El Omari, K, Mohamad, N, Bountra, K, Duman, R, Romano, M, Schlegel, K, Kwong, H, Mykhaylyk, V, Olesen, C.E, Moller, J.V, Bublitz, M, Beis, K, Wagner, A.
Deposit date:2020-04-14
Release date:2020-11-04
Last modified:2020-12-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Experimental phasing with vanadium and application to nucleotide-binding membrane proteins.
Iucrj, 7, 2020
6YOE
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BU of 6yoe by Molmil
Structure of Lysozyme from SiN IMISX setup collected by still serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging
Descriptor: 2-(2-ETHOXYETHOXY)ETHANOL, ACETIC ACID, BROMIDE ION, ...
Authors:Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M.
Deposit date:2020-04-14
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
6YOB
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BU of 6yob by Molmil
Structure of Lysozyme from COC IMISX setup collected by rotation serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, ACETIC ACID, BROMIDE ION, ...
Authors:Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M.
Deposit date:2020-04-14
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
6YOD
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BU of 6yod by Molmil
Structure of Lysozyme from SiN IMISX setup collected by rotation serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging
Descriptor: 2-(2-ETHOXYETHOXY)ETHANOL, 2-(2-METHOXYETHOXY)ETHANOL, ACETIC ACID, ...
Authors:Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M.
Deposit date:2020-04-14
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
6YO0
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BU of 6yo0 by Molmil
Cryo-EM structure of Tetrahymena thermophila mitochondrial ATP synthase - F1/peripheral stalk
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase subunit alpha, ...
Authors:Kock Flygaard, R, Muhleip, A, Amunts, A.
Deposit date:2020-04-14
Release date:2020-09-30
Last modified:2020-11-11
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Type III ATP synthase is a symmetry-deviated dimer that induces membrane curvature through tetramerization.
Nat Commun, 11, 2020
6YNR
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BU of 6ynr by Molmil
Crystal structure of the cAMP-dependent protein kinase A in complex with 1,7-Naphthyridin-8-amine (soaked) and PKI (5-24)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,7-naphthyridin-8-amine, DIMETHYL SULFOXIDE, ...
Authors:Oebbeke, M, Heine, A, Klebe, G.
Deposit date:2020-04-14
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses.
Chemmedchem, 16, 2021
6YNZ
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BU of 6ynz by Molmil
Cryo-EM structure of Tetrahymena thermophila mitochondrial ATP synthase - F1Fo composite tetramer model
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Kock Flygaard, R, Muhleip, A, Amunts, A.
Deposit date:2020-04-14
Release date:2020-09-30
Last modified:2020-11-11
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Type III ATP synthase is a symmetry-deviated dimer that induces membrane curvature through tetramerization.
Nat Commun, 11, 2020
7BW8
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BU of 7bw8 by Molmil
Cryo-EM Structure for the Insulin Binding Region in the Ectodomain of the Full-length Human Insulin Receptor in Complex with 1 Insulin
Descriptor: Insulin fusion, Insulin receptor
Authors:Yu, D, Zhang, X, Sun, J, Li, X, Wu, Z, Han, X, Fan, C, Ma, Y, Ouyang, Q, Wang, T.
Deposit date:2020-04-14
Release date:2021-04-14
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Insulin Binding Induced the Ectodomain Conformational Dynamics in the Full-length Human Insulin Receptor
To Be Published
7BWA
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BU of 7bwa by Molmil
Cryo-EM Structure for the Ectodomain of the Full-length Human Insulin Receptor in Complex with 2 Insulin
Descriptor: Insulin fusion, Insulin receptor
Authors:Yu, D, Zhang, X, Sun, J, Li, X, Wu, Z, Han, X, Fan, C, Ma, Y, Ouyang, Q, Wang, T.
Deposit date:2020-04-14
Release date:2021-04-14
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Insulin Binding Induced the Ectodomain Conformational Dynamics in the Full-length Human Insulin Receptor
To Be Published
6YNF
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BU of 6ynf by Molmil
GAPDH purified from the supernatant of HEK293F cells: crystal form 3 of 4.
Descriptor: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Glyceraldehyde-3-phosphate dehydrogenase
Authors:Roversi, P, Lia, A.
Deposit date:2020-04-13
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Partial catalytic Cys oxidation of human GAPDH to Cys-sulfonic acid.
Wellcome Open Res, 5, 2020
6YNA
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BU of 6yna by Molmil
Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with Fasudil (M77, soaked)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2020-04-13
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses.
Chemmedchem, 16, 2021
6YND
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BU of 6ynd by Molmil
GAPDH purified from the supernatant of HEK293F cells: crystal form 1 of 4.
Descriptor: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Glyceraldehyde-3-phosphate dehydrogenase
Authors:Roversi, P, Lia, A.
Deposit date:2020-04-13
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.525 Å)
Cite:Partial catalytic Cys oxidation of human GAPDH to Cys-sulfonic acid.
Wellcome Open Res, 5, 2020
6YNC
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BU of 6ync by Molmil
Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the methylated Fasudil-derived fragment N-methylisoquinoline-5-sulfonamide (soaked)
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N}-methylisoquinoline-5-sulfonamide
Authors:Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2020-04-13
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses.
Chemmedchem, 16, 2021
6WJF
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BU of 6wjf 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 (7.5 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
6YNB
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BU of 6ynb by Molmil
Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with short-chain Fasudil-derivative N-(2-aminoethyl)isoquinoline-5-sulfonamide (soaked)
Descriptor: DIMETHYL SULFOXIDE, N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2020-04-13
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses.
Chemmedchem, 16, 2021
6YNH
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BU of 6ynh by Molmil
GAPDH purified from the supernatant of HEK293F cells: crystal form 4 of 4
Descriptor: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Glyceraldehyde-3-phosphate dehydrogenase
Authors:Roversi, P, Lia, A.
Deposit date:2020-04-13
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.621 Å)
Cite:Partial catalytic Cys oxidation of human GAPDH to Cys-sulfonic acid.
Wellcome Open Res, 5, 2020
6YNE
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BU of 6yne by Molmil
GAPDH purified from the supernatant of HEK293F cells: crystal form 2 of 4.
Descriptor: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Glyceraldehyde-3-phosphate dehydrogenase
Authors:Roversi, P, Lia, A.
Deposit date:2020-04-13
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.853 Å)
Cite:Partial catalytic Cys oxidation of human GAPDH to Cys-sulfonic acid.
Wellcome Open Res, 5, 2020
7BW7
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BU of 7bw7 by Molmil
Cryo-EM Structure for the Ectodomain of the Full-length Human Insulin Receptor in Complex with 1 Insulin.
Descriptor: Insulin fusion, Insulin receptor
Authors:Yu, D, Zhang, X, Sun, J, Li, X, Wu, Z, Han, X, Fan, C, Ma, Y, Ouyang, Q, Wang, T.
Deposit date:2020-04-13
Release date:2021-04-14
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Insulin Binding Induced the Ectodomain Conformational Dynamics in the Full-length Human Insulin Receptor
To Be Published

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