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6C79
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BU of 6c79 by Molmil
Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis
Descriptor: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase Toho-1, SULFATE ION
Authors:Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M.
Deposit date:2018-01-22
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
6C7Y
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BU of 6c7y by Molmil
Crystal structure of inhibitory protein SOCS1 in complex with JAK1 kinase domain
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Liau, N.P.D, Laktyushin, A, Lucet, I.S, Murphy, J.M, Yao, S, Callaghan, K, Nicola, N.A, Kershaw, N.J, Babon, J.J.
Deposit date:2018-01-23
Release date:2018-05-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:The molecular basis of JAK/STAT inhibition by SOCS1.
Nat Commun, 9, 2018
6CC9
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BU of 6cc9 by Molmil
NMR data-driven model of GTPase KRas-GMPPNP:Cmpd2 complex tethered to a nanodisc
Descriptor: (2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, ...
Authors:Fang, Z, Marshall, C.B, Nishikawa, T, Gossert, A.D, Jansen, J.M, Jahnke, W, Ikura, M.
Deposit date:2018-02-06
Release date:2018-09-05
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Inhibition of K-RAS4B by a Unique Mechanism of Action: Stabilizing Membrane-Dependent Occlusion of the Effector-Binding Site.
Cell Chem Biol, 25, 2018
6CI1
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BU of 6ci1 by Molmil
The Structure of Full-Length Kv Beta 2.1 Determined by Cryogenic Electron Microscopy
Descriptor: Voltage-gated potassium channel subunit beta-2
Authors:Stagg, S.M, Spear, J.M, Mendez, J.H.
Deposit date:2018-02-23
Release date:2019-02-27
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:The Structure of Full-Length Kv Beta 2.1 Determined by Cryogenic Electron Microscopy
To Be Published
6CFM
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BU of 6cfm by Molmil
Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor
Descriptor: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, CHLORIDE ION, GLYCEROL, ...
Authors:Counago, R.M, dos Reis, C.V, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
Deposit date:2018-02-15
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor
To Be Published
6CD6
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BU of 6cd6 by Molmil
Crystal Structure of the Human CAMKK1A in complex with GSK650394
Descriptor: 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 1
Authors:Santiago, A.S, Counago, R.M, Righetto, G.L, Ramos, P.Z, Silva, P.N.B, Drewry, D, Elkins, J.M, Massirer, K.B, Arruda, P, Edwards, A.M, Structural Genomics Consortium (SGC)
Deposit date:2018-02-08
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Human CAMKK1A in complex with GSK650394
To be Published
6CJO
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BU of 6cjo by Molmil
Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95S mutation.
Descriptor: Chalcone--flavonone isomerase 1, SULFATE ION
Authors:Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P.
Deposit date:2018-02-26
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases
Acs Catalysis, 2019
7SX1
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BU of 7sx1 by Molmil
human triosephosphate isomerase mutant v154m
Descriptor: ISOPROPYL ALCOHOL, Triosephosphate isomerase
Authors:Romero, J.M.
Deposit date:2021-11-22
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:human triosephosphate isomerase mutant v154m
To Be Published
7T0Q
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BU of 7t0q by Molmil
human triosephosphate isomerase mutant v154m
Descriptor: 2-PHOSPHOGLYCOLIC ACID, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Romero, J.M.
Deposit date:2021-11-30
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:human triosephosphate isomerase mutant v154m
To Be Published
7TJI
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BU of 7tji by Molmil
S. cerevisiae ORC bound to 84 bp ARS1 DNA and Cdc6 (state 2) with flexible Orc6 N-terminal domain
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 6, DNA, ...
Authors:Schmidt, J.M, Yang, R, Kumar, A, Hunker, O, Bleichert, F.
Deposit date:2022-01-16
Release date:2022-10-05
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6.
Nat Commun, 13, 2022
7TJH
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BU of 7tjh by Molmil
S. cerevisiae ORC bound to 84 bp ARS1 DNA and Cdc6 (state 1) with flexible Orc6 N-terminal domain
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 6, DNA, ...
Authors:Schmidt, J.M, Yang, R, Kumar, A, Hunker, O, Bleichert, F.
Deposit date:2022-01-16
Release date:2022-10-05
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6.
Nat Commun, 13, 2022
2INX
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BU of 2inx by Molmil
Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol
Descriptor: 2,6-DIFLUOROPHENOL, Steroid delta-isomerase
Authors:Martinez Caaveiro, J.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P, Kraut, D, Herschlag, D.
Deposit date:2006-10-09
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole.
J.Am.Chem.Soc., 130, 2008
6SYT
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BU of 6syt by Molmil
Structure of the SMG1-SMG8-SMG9 complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ...
Authors:Gat, Y, Schuller, J.M, Conti, E.
Deposit date:2019-10-01
Release date:2019-12-11
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:InsP6binding to PIKK kinases revealed by the cryo-EM structure of an SMG1-SMG8-SMG9 complex.
Nat.Struct.Mol.Biol., 26, 2019
6SON
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BU of 6son by Molmil
2 minute Fe2+ soak structure of SynFtn variant D137A
Descriptor: CHLORIDE ION, FE (III) ION, Ferritin
Authors:Hemmings, A.M, Bradley, J.M.
Deposit date:2019-08-29
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Routes of iron entry into, and exit from, the catalytic ferroxidase sites of the prokaryotic ferritin SynFtn.
Dalton Trans, 49, 2020
6SP4
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BU of 6sp4 by Molmil
KEAP1 IN COMPLEX WITH COMPOUND 23
Descriptor: (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide, Kelch-like ECH-associated protein 1
Authors:Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S.
Deposit date:2019-08-30
Release date:2020-06-03
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
6SKG
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BU of 6skg by Molmil
Cryo-EM Structure of T. kodakarensis 70S ribosome in TkNat10 deleted strain
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Matzov, D, Sas-Chen, A, Thomas, J.M, Santangelo, T, Meier, J.L, Schwartz, S, Shalev-Benami, M.
Deposit date:2019-08-15
Release date:2020-07-29
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Dynamic RNA acetylation revealed by quantitative cross-evolutionary mapping.
Nature, 583, 2020
6T0R
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BU of 6t0r by Molmil
Bat Influenza A polymerase product dissociation complex using 44-mer vRNA template with mutated oligo(U) sequence
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit, ...
Authors:Wandzik, J.M, Kouba, T, Cusack, S.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase.
Cell, 181, 2020
6SOM
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BU of 6som by Molmil
Metal free structure of SynFtn variant D137A
Descriptor: CHLORIDE ION, Ferritin
Authors:Hemmings, A.M, Bradley, J.M.
Deposit date:2019-08-29
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Routes of iron entry into, and exit from, the catalytic ferroxidase sites of the prokaryotic ferritin SynFtn.
Dalton Trans, 49, 2020
6SOQ
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BU of 6soq by Molmil
2 minute Fe2+ soaked structure of SynFtn variant E62A
Descriptor: CHLORIDE ION, FE (III) ION, Ferritin
Authors:Hemmings, A.M, Bradley, J.M.
Deposit date:2019-08-29
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Routes of iron entry into, and exit from, the catalytic ferroxidase sites of the prokaryotic ferritin SynFtn.
Dalton Trans, 49, 2020
6SZV
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BU of 6szv by Molmil
Bat Influenza A polymerase elongation complex with incoming UTP analogue (core + endonuclease only)
Descriptor: 3' vRNA, 5' vRNA, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, ...
Authors:Wandzik, J.M, Kouba, T, Cusack, S.
Deposit date:2019-10-02
Release date:2020-04-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase.
Cell, 181, 2020
6SOP
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BU of 6sop by Molmil
Metal free structure of SynFtn variant E62A
Descriptor: CHLORIDE ION, Ferritin
Authors:Hemmings, A.M, Bradley, J.M.
Deposit date:2019-08-29
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Routes of iron entry into, and exit from, the catalytic ferroxidase sites of the prokaryotic ferritin SynFtn.
Dalton Trans, 49, 2020
6SUY
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BU of 6suy by Molmil
Yeast cytochrome c in complex with an octa-anionic calix[4]arene
Descriptor: Cytochrome c iso-1, HEME C, SODIUM ION, ...
Authors:Alex, J.M, Crowley, P.B.
Deposit date:2019-09-17
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Probing the determinants of porosity in protein frameworks: co-crystals of cytochrome c and an octa-anionic calix[4]arene.
Org.Biomol.Chem., 18, 2020
6T0U
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BU of 6t0u by Molmil
Bat Influenza A polymerase product dissociation complex using 44-mer vRNA template with intact oligo(U) sequence
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit, ...
Authors:Wandzik, J.M, Kouba, T, Cusack, S.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase.
Cell, 181, 2020
6SO3
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BU of 6so3 by Molmil
The interacting head motif in insect flight muscle myosin thick filaments
Descriptor: Myosin 2 essential light chain striated muscle, Myosin 2 heavy chain striated muscle, Myosin 2 regulatory light chain striated muscle
Authors:Morris, E.P, Knupp, C, Squire, J.M.
Deposit date:2019-08-28
Release date:2020-07-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:The Interacting Head Motif Structure Does Not Explain the X-Ray Diffraction Patterns in Relaxed Vertebrate (Bony Fish) Skeletal Muscle and Insect (Lethocerus) Flight Muscle.
Biology (Basel), 8, 2019
6SZU
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BU of 6szu by Molmil
Bat Influenza A polymerase pre-termination complex with pyrophosphate using 44-mer vRNA template with mutated oligo(U) sequence
Descriptor: 5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Wandzik, J.M, Kouba, T, Cusack, S.
Deposit date:2019-10-02
Release date:2020-04-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase.
Cell, 181, 2020

221716

數據於2024-06-26公開中

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