6QSW
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![BU of 6qsw by Molmil](/molmil-images/mine/6qsw) | Complement factor B protease domain in complex with the reversible inhibitor N-(2-bromo-4-methylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine. | Descriptor: | Complement factor B, SULFATE ION, ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine | Authors: | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | Deposit date: | 2019-02-22 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases. Proc.Natl.Acad.Sci.USA, 116, 2019
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8DUN
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![BU of 8dun by Molmil](/molmil-images/mine/8dun) | Cryo-EM Structure of Antibody SKW11 in complex with Western Equine Encephalitis Virus spike (local refinement from VLP particles) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody SKW11 heavy chain, ... | Authors: | Cerutti, G, Verardi, R, Roederer, M, Shapiro, L. | Deposit date: | 2022-07-27 | Release date: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (5.84 Å) | Cite: | Vaccine elicitation and structural basis for antibody protection against alphaviruses. Cell, 186, 2023
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6QVY
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![BU of 6qvy by Molmil](/molmil-images/mine/6qvy) | The Transcriptional Regulator PrfA-A94V mutant from Listeria Monocytogenes | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, SODIUM ION | Authors: | Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E. | Deposit date: | 2019-03-05 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.686 Å) | Cite: | A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes. J.Bacteriol., 202, 2020
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6QYP
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![BU of 6qyp by Molmil](/molmil-images/mine/6qyp) | Structure of Mcl-1 in complex with compound 13 | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-09 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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6QZ5
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![BU of 6qz5 by Molmil](/molmil-images/mine/6qz5) | Structure of Mcl-1 in complex with compound 8a | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-11 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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5DKU
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![BU of 5dku by Molmil](/molmil-images/mine/5dku) | C-terminal His tagged apPOL exonuclease mutant | Descriptor: | MAGNESIUM ION, Prex DNA polymerase | Authors: | Milton, M.E, Honzatko, R.B, Choe, J.Y, Nelson, S.W. | Deposit date: | 2015-09-04 | Release date: | 2016-08-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of the Apicoplast DNA Polymerase from Plasmodium falciparum: The First Look at a Plastidic A-Family DNA Polymerase. J.Mol.Biol., 428, 2016
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8DNG
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![BU of 8dng by Molmil](/molmil-images/mine/8dng) | |
6QNC
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![BU of 6qnc by Molmil](/molmil-images/mine/6qnc) | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 0.1 s timepoint | Descriptor: | COBALT (II) ION, MAGNESIUM ION, Xylose isomerase, ... | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | Deposit date: | 2019-02-10 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography. Nat.Methods, 16, 2019
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6QNJ
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![BU of 6qnj by Molmil](/molmil-images/mine/6qnj) | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 4.5 s timepoint | Descriptor: | COBALT (II) ION, MAGNESIUM ION, Xylose isomerase, ... | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | Deposit date: | 2019-02-11 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography. Nat.Methods, 16, 2019
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6QWK
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![BU of 6qwk by Molmil](/molmil-images/mine/6qwk) | The Transcriptional Regulator PrfA-L140F mutant from Listeria Monocytogenes in complex with a 30-bp operator PrfA-box motif | Descriptor: | DNA (30-MER), GLYCEROL, Listeriolysin positive regulatory factor A | Authors: | Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E. | Deposit date: | 2019-03-05 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes. J.Bacteriol., 202, 2020
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6QWS
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![BU of 6qws by Molmil](/molmil-images/mine/6qws) | |
8EEV
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![BU of 8eev by Molmil](/molmil-images/mine/8eev) | Venezuelan equine encephalitis virus-like particle in complex with Fab SKT-20 | Descriptor: | Coat protein, Fab SKT20 heavy chain, Fab SKT20 light chain | Authors: | Tsybovsky, Y, Pletnev, S, Verardi, R, Roederer, M, Kwong, P.D. | Deposit date: | 2022-09-07 | Release date: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Vaccine elicitation and structural basis for antibody protection against alphaviruses. Cell, 186, 2023
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8DWO
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![BU of 8dwo by Molmil](/molmil-images/mine/8dwo) | Cryo-EM Structure of Eastern Equine Encephalitis Virus in complex with SKE26 Fab | Descriptor: | Envelope glycoprotein E1, Envelope glycoprotein E2, SKE26 Fab Heavy Chain, ... | Authors: | Pletnev, S, Verardi, R, Roedeger, M, Kwong, P. | Deposit date: | 2022-08-01 | Release date: | 2023-07-19 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Vaccine elicitation and structural basis for antibody protection against alphaviruses. Cell, 186, 2023
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6QYK
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![BU of 6qyk by Molmil](/molmil-images/mine/6qyk) | Structure of MBP-Mcl-1 in complex with compound 7a | Descriptor: | (2~{R})-2-[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-09 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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5DOG
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![BU of 5dog by Molmil](/molmil-images/mine/5dog) | Crystal structure of human carbonic anhydrase isozyme II with 2-(Benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)thio]benzene- sulfonamide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide, BICINE, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2015-09-11 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases. ChemMedChem, 12, 2017
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6QZ6
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![BU of 6qz6 by Molmil](/molmil-images/mine/6qz6) | Structure of Mcl-1 in complex with compound 8b | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-11 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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5DOR
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![BU of 5dor by Molmil](/molmil-images/mine/5dor) | P2 Integrase catalytic domain in space group P21 | Descriptor: | Integrase, PHOSPHATE ION, ZINC ION | Authors: | Skaar, K, Claesson, M, Odegrip, R, Haggard-Ljungquist, E, Hogbom, M. | Deposit date: | 2015-09-11 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the bacteriophage P2 integrase catalytic domain. Febs Lett., 589, 2015
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6QO2
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![BU of 6qo2 by Molmil](/molmil-images/mine/6qo2) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 1 (1H-Indole-5-carboxamide) | Descriptor: | 1~{H}-indole-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6QOI
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![BU of 6qoi by Molmil](/molmil-images/mine/6qoi) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 12 (2-Aminobenzothiazole) | Descriptor: | 1,3-benzothiazol-2-amine, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6QOQ
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![BU of 6qoq by Molmil](/molmil-images/mine/6qoq) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 20 (6-Aminobenzothiazole) | Descriptor: | 1,3-benzothiazol-6-amine, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6QOX
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![BU of 6qox by Molmil](/molmil-images/mine/6qox) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 27 (Methyl 2-(hydroxymethyl)-6H-thieno[2,3-b]pyrrole-5-carboxylate) | Descriptor: | methyl 2-(hydroxymethyl)-6~{H}-thieno[2,3-b]pyrrole-5-carboxylate, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6QYN
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![BU of 6qyn by Molmil](/molmil-images/mine/6qyn) | Structure of MBP-Mcl-1 in complex with compound 10d | Descriptor: | (2~{R})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-09 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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6QMT
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![BU of 6qmt by Molmil](/molmil-images/mine/6qmt) | Complement factor D in complex with the inhibitor 2-(2-(3'-(aminomethyl)-[1,1'-biphenyl]-3-carboxamido)phenyl)acetic acid | Descriptor: | 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, Complement factor D | Authors: | Karki, R, Powers, J, Mainolfi, N, Anderson, K, Belanger, D, Liu, D, Jendza, K, Gelin, C.F, Solovay, C, Mac Sweeeny, A, Delgado, O, Crowley, M, Liao, S.-M, Argikar, U.A, Flohr, S, La Bonte, L.R, Lorthiois, E.L, Vulpetti, A, Cumin, F, Brown, A, Adams, C, Jaffee, B, Mogi, M. | Deposit date: | 2019-02-08 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway. J.Med.Chem., 62, 2019
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6QND
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![BU of 6qnd by Molmil](/molmil-images/mine/6qnd) | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 60 s timepoint | Descriptor: | COBALT (II) ION, D-glucose, MAGNESIUM ION, ... | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | Deposit date: | 2019-02-11 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography. Nat.Methods, 16, 2019
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6QNI
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![BU of 6qni by Molmil](/molmil-images/mine/6qni) | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 1.0 s timepoint | Descriptor: | COBALT (II) ION, MAGNESIUM ION, Xylose isomerase, ... | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | Deposit date: | 2019-02-11 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.846 Å) | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography. Nat.Methods, 16, 2019
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