8CMA
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![BU of 8cma by Molmil](/molmil-images/mine/8cma) | SARS-CoV-2 Delta-RBD complexed with BA.4/5-35 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BA.4/5-35 heavy chain, BA.4/5-35 light chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2023-02-18 | Release date: | 2024-02-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection. Nat Commun, 15, 2024
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6MRA
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![BU of 6mra by Molmil](/molmil-images/mine/6mra) | Diversity in the type II Natural Killer T cell receptor repertoire and antigen specificity leads to differing CD1d docking strategies | Descriptor: | TCR alpha chain, TCR beta-chain | Authors: | Sundararaj, S, Le Nours, J, Praveena, T, Rossjohn, J. | Deposit date: | 2018-10-12 | Release date: | 2019-09-18 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Distinct CD1d docking strategies exhibited by diverse Type II NKT cell receptors. Nat Commun, 10, 2019
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6X2N
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![BU of 6x2n by Molmil](/molmil-images/mine/6x2n) | Mfd-bound E.coli RNA polymerase elongation complex - I state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (64-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Llewellyn, E, Chen, J, Kang, J.Y, Darst, S.A. | Deposit date: | 2020-05-20 | Release date: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis for transcription complex disruption by the Mfd translocase. Elife, 10, 2021
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5K0K
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![BU of 5k0k by Molmil](/molmil-images/mine/5k0k) | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2434 | Descriptor: | 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3H)-one, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Wang, X, Liu, J, Zhang, W, Stashko, M.A, Nichols, J, DeRyckere, D, Miley, M.J, Norris-Drouin, J, Chen, Z, Machius, M, Wood, E, Graham, D.K, Earp, H.S, Graham, K, Kireev, D, Frye, S.V. | Deposit date: | 2016-05-17 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.545 Å) | Cite: | Design and Synthesis of Novel Macrocyclic Mer Tyrosine Kinase Inhibitors. ACS Med Chem Lett, 7, 2016
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6N8Z
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![BU of 6n8z by Molmil](/molmil-images/mine/6n8z) | HSP104DWB extended conformation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 104 | Authors: | Lee, S, Rho, S.H, Lee, J, Sung, N, Liu, J, Tsai, F.T.F. | Deposit date: | 2018-11-30 | Release date: | 2019-01-02 | Last modified: | 2019-01-16 | Method: | ELECTRON MICROSCOPY (9.3 Å) | Cite: | Cryo-EM Structures of the Hsp104 Protein Disaggregase Captured in the ATP Conformation. Cell Rep, 26, 2019
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8F19
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![BU of 8f19 by Molmil](/molmil-images/mine/8f19) | Cryo-EM structure of Kap114 bound to Gsp1 (RanGTP) | Descriptor: | GTP-binding nuclear protein GSP1/CNR1, GUANOSINE-5'-TRIPHOSPHATE, Importin subunit beta-5, ... | Authors: | Jiou, J, Chook, Y.M. | Deposit date: | 2022-11-04 | Release date: | 2023-07-26 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Mechanism of RanGTP priming H2A-H2B release from Kap114 in an atypical RanGTP•Kap114•H2A-H2B complex. Proc.Natl.Acad.Sci.USA, 120, 2023
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8F1E
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![BU of 8f1e by Molmil](/molmil-images/mine/8f1e) | Cryo-EM structure of Kap114 bound to Gsp1 (RanGTP) and H2A-H2B | Descriptor: | GTP-binding nuclear protein GSP1/CNR1, GUANOSINE-5'-TRIPHOSPHATE, Histone H2A.2, ... | Authors: | Jiou, J, Chook, Y.M. | Deposit date: | 2022-11-04 | Release date: | 2023-07-26 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Mechanism of RanGTP priming H2A-H2B release from Kap114 in an atypical RanGTP•Kap114•H2A-H2B complex. Proc.Natl.Acad.Sci.USA, 120, 2023
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8Q7Y
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8F0X
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![BU of 8f0x by Molmil](/molmil-images/mine/8f0x) | Cryo-EM structure of Kap114 bound to H2A-H2B | Descriptor: | Histone H2A.2, Histone H2B.2, Importin subunit beta-5 | Authors: | Jiou, J, Chook, Y.M. | Deposit date: | 2022-11-04 | Release date: | 2023-07-26 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Mechanism of RanGTP priming H2A-H2B release from Kap114 in an atypical RanGTP•Kap114•H2A-H2B complex. Proc.Natl.Acad.Sci.USA, 120, 2023
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1AH1
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![BU of 1ah1 by Molmil](/molmil-images/mine/1ah1) | CTLA-4, NMR, 20 STRUCTURES | Descriptor: | CTLA-4, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Metzler, W.J, Bajorath, J, Fenderson, W, Shaw, S.-Y, Peach, R, Constantine, K.L, Naemura, J, Leytze, G, Lavoie, T.B, Mueller, L, Linsley, P.S. | Deposit date: | 1997-04-11 | Release date: | 1998-04-15 | Last modified: | 2020-07-29 | Method: | SOLUTION NMR | Cite: | Solution structure of human CTLA-4 and delineation of a CD80/CD86 binding site conserved in CD28. Nat.Struct.Biol., 4, 1997
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6WII
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![BU of 6wii by Molmil](/molmil-images/mine/6wii) | Crystal structure of the K. pneumoniae LpxH/JH-LPH-41 complex | Descriptor: | 5-({[4-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)phenyl]carbamoyl}amino)-N-hydroxypentanamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Cochrane, C.S, Cho, J, Fenton, B.A, Zhou, P. | Deposit date: | 2020-04-09 | Release date: | 2020-07-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Synthesis and evaluation of sulfonyl piperazine LpxH inhibitors. Bioorg.Chem., 102, 2020
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5JR8
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![BU of 5jr8 by Molmil](/molmil-images/mine/5jr8) | Disposal of Iron by a Mutant form of Siderocalin NGAL | Descriptor: | GLYCEROL, Neutrophil gelatinase-associated lipocalin, PHOSPHATE ION | Authors: | Rupert, P.B, Strong, R.K, Barasch, J, Hollman, M, Deng, R, Hod, E.A, Abergel, R, Allred, B, Xu, K, Darrah, S, Tekabe, Y, Perlstein, A, Bruck, E, Stauber, J, Corbin, K, Buchen, C, Slavkovich, V, Graziano, J, Spitalnik, S, Qiu, A. | Deposit date: | 2016-05-05 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Disposal of iron by a mutant form of lipocalin 2. Nat Commun, 7, 2016
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6X4W
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![BU of 6x4w by Molmil](/molmil-images/mine/6x4w) | Mfd-bound E.coli RNA polymerase elongation complex - III state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (64-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Llewellyn, E, Chen, J, Kang, J.Y, Darst, S.A. | Deposit date: | 2020-05-24 | Release date: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis for transcription complex disruption by the Mfd translocase. Elife, 10, 2021
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8EM3
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8IJK
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![BU of 8ijk by Molmil](/molmil-images/mine/8ijk) | human KCNQ2-CaM-Ebio1 complex in the presence of PIP2 | Descriptor: | Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | Authors: | Ma, D, Guo, J. | Deposit date: | 2023-02-27 | Release date: | 2024-01-17 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | A small-molecule activation mechanism that directly opens the KCNQ2 channel. Nat.Chem.Biol., 20, 2024
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6N8T
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![BU of 6n8t by Molmil](/molmil-images/mine/6n8t) | Hsp104DWB closed conformation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 104 | Authors: | Lee, S, Rho, S.H, Lee, J, Sung, N, Liu, J, Tsai, F.T.F. | Deposit date: | 2018-11-30 | Release date: | 2019-01-02 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Cryo-EM Structures of the Hsp104 Protein Disaggregase Captured in the ATP Conformation. Cell Rep, 26, 2019
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8IEI
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8IEQ
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![BU of 8ieq by Molmil](/molmil-images/mine/8ieq) | Cryo-EM structure of G-protein free GPR156 | Descriptor: | Probable G-protein coupled receptor 156, [(2R)-3-[(E)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate | Authors: | Shin, J, Park, J, Cho, Y. | Deposit date: | 2023-02-15 | Release date: | 2024-02-14 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Constitutive activation mechanism of a class C GPCR. Nat.Struct.Mol.Biol., 31, 2024
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5KCE
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![BU of 5kce by Molmil](/molmil-images/mine/5kce) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl, 2-chlorobenzyl OBHS-N derivative | Descriptor: | (1S,2R,4S)-N-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-06-06 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.847 Å) | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
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6MIF
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![BU of 6mif by Molmil](/molmil-images/mine/6mif) | Lim5 domain of PINCH1 protein | Descriptor: | LIM and senescent cell antigen-like-containing domain protein 1, ZINC ION | Authors: | Qin, J, Vaynberg, J. | Deposit date: | 2018-09-19 | Release date: | 2018-10-31 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Non-catalytic signaling by pseudokinase ILK for regulating cell adhesion. Nat Commun, 9, 2018
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5C0M
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![BU of 5c0m by Molmil](/molmil-images/mine/5c0m) | Crystal structure of SGF29 tandem tudor domain in complex with a Carba containing peptide | Descriptor: | Carba-containing peptide, GLYCEROL, SAGA-associated factor 29 homolog, ... | Authors: | Dong, A, Xu, C, Tempel, W, Cerovina, T, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-06-12 | Release date: | 2015-07-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Chemical basis for the recognition of trimethyllysine by epigenetic reader proteins. Nat Commun, 6, 2015
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8POD
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![BU of 8pod by Molmil](/molmil-images/mine/8pod) | Crystal structure of the kinase domain of ACVR1 (ALK2) in complex with FKBP12 and MU1700 | Descriptor: | 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-yl-furo[3,2-b]pyridine, Activin receptor type-1, FLUORIDE ION, ... | Authors: | Cros, J, Baltanas-Copado, J, Knapp, S, Paruch, K, Nemec, N, Bullock, A.N. | Deposit date: | 2023-07-04 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal structure of the kinase domain of ACVR1 (ALK2) in complex with FKBP12 and MU1700 To Be Published
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1A6M
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![BU of 1a6m by Molmil](/molmil-images/mine/1a6m) | OXY-MYOGLOBIN, ATOMIC RESOLUTION | Descriptor: | MYOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I. | Deposit date: | 1998-02-26 | Release date: | 1999-04-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Crystal structures of myoglobin-ligand complexes at near-atomic resolution. Biophys.J., 77, 1999
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8DCK
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![BU of 8dck by Molmil](/molmil-images/mine/8dck) | Structure of hemolysin A secretion system HlyB/D complex, ATP-bound | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein HlyB, MAGNESIUM ION, ... | Authors: | Zhao, H, Chen, J. | Deposit date: | 2022-06-16 | Release date: | 2022-09-14 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The hemolysin A secretion system is a multi-engine pump containing three ABC transporters. Cell, 185, 2022
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8DL0
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![BU of 8dl0 by Molmil](/molmil-images/mine/8dl0) | |