6C79
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![BU of 6c79 by Molmil](/molmil-images/mine/6c79) | 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
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6C7Y
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![BU of 6c7y by Molmil](/molmil-images/mine/6c7y) | 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
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6CC9
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![BU of 6cc9 by Molmil](/molmil-images/mine/6cc9) | 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
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6CI1
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![BU of 6ci1 by Molmil](/molmil-images/mine/6ci1) | |
6CFM
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![BU of 6cfm by Molmil](/molmil-images/mine/6cfm) | 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
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6CD6
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![BU of 6cd6 by Molmil](/molmil-images/mine/6cd6) | 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
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6CJO
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![BU of 6cjo by Molmil](/molmil-images/mine/6cjo) | 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
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7SX1
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![BU of 7sx1 by Molmil](/molmil-images/mine/7sx1) | 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
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7T0Q
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![BU of 7t0q by Molmil](/molmil-images/mine/7t0q) | 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
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7TJI
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![BU of 7tji by Molmil](/molmil-images/mine/7tji) | 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
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7TJH
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![BU of 7tjh by Molmil](/molmil-images/mine/7tjh) | 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
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2INX
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![BU of 2inx by Molmil](/molmil-images/mine/2inx) | 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
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6SYT
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![BU of 6syt by Molmil](/molmil-images/mine/6syt) | 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
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6SON
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6SP4
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![BU of 6sp4 by Molmil](/molmil-images/mine/6sp4) | 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
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6SKG
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![BU of 6skg by Molmil](/molmil-images/mine/6skg) | 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
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6T0R
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![BU of 6t0r by Molmil](/molmil-images/mine/6t0r) | 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
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6SOM
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![BU of 6som by Molmil](/molmil-images/mine/6som) | 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
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6SOQ
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6SZV
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![BU of 6szv by Molmil](/molmil-images/mine/6szv) | 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
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6SOP
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![BU of 6sop by Molmil](/molmil-images/mine/6sop) | 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
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6SUY
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6T0U
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![BU of 6t0u by Molmil](/molmil-images/mine/6t0u) | 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
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6SO3
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![BU of 6so3 by Molmil](/molmil-images/mine/6so3) | 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
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6SZU
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![BU of 6szu by Molmil](/molmil-images/mine/6szu) | 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
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