8U5P
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![BU of 8u5p by Molmil](/molmil-images/mine/8u5p) | Structure of Mango II aptamer bound to T01-6A-B | Descriptor: | 3-[2,16-dioxo-20-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-6,9,12-trioxa-3,15-diazaicosan-1-yl]-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium, Mango II, POTASSIUM ION | Authors: | Passalacqua, L.F.M, Ferre-D'Amare, A.R. | Deposit date: | 2023-09-12 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of Mango II aptamer bound to T01-6A-B To Be Published
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8U5T
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![BU of 8u5t by Molmil](/molmil-images/mine/8u5t) | Structure of Mango II variant aptamer bound to T01-6A-B | Descriptor: | 3-{2,16-dioxo-20-[(3aS,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium, Mango II variant, POTASSIUM ION, ... | Authors: | Passalacqua, L.F.M, Ferre-D'Amare, A.R. | Deposit date: | 2023-09-12 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of Mango II variant aptamer bound to T01-6A-B To Be Published
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6OWM
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![BU of 6owm by Molmil](/molmil-images/mine/6owm) | Horse liver F93W alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | Authors: | Plapp, B.V. | Deposit date: | 2019-05-10 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Substitutions of Amino Acid Residues in the Substrate Binding Site of Horse Liver Alcohol Dehydrogenase Have Small Effects on the Structures but Significantly Affect Catalysis of Hydrogen Transfer. Biochemistry, 59, 2020
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6Y4M
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![BU of 6y4m by Molmil](/molmil-images/mine/6y4m) | Structure of Tubulin Tyrosine Ligase in Complex with Tb111 | Descriptor: | (2~{R})-1-methylpiperidine-2-carboxylic acid, (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V. | Deposit date: | 2020-02-21 | Release date: | 2021-03-31 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.34 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Tubulysin Analogues, Linker-Drugs, and Antibody-Drug Conjugates, Insights into Structure-Activity Relationships, and Tubulysin-Tubulin Binding Derived from X-ray Crystallographic Analysis. J.Org.Chem., 86, 2021
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6Y4N
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![BU of 6y4n by Molmil](/molmil-images/mine/6y4n) | Structure of Tubulin Tyrosine Ligase in Complex with Tb116 | Descriptor: | (2~{R})-1-methylpiperidine-2-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V. | Deposit date: | 2020-02-21 | Release date: | 2021-03-31 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.852 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Tubulysin Analogues, Linker-Drugs, and Antibody-Drug Conjugates, Insights into Structure-Activity Relationships, and Tubulysin-Tubulin Binding Derived from X-ray Crystallographic Analysis. J.Org.Chem., 86, 2021
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8F9Q
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![BU of 8f9q by Molmil](/molmil-images/mine/8f9q) | Guinea pig sialic acid esterase (SIAE) | Descriptor: | Sialic acid acetylesterase, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ide, D, Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2022-11-24 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Guinea pig sialic acid esterase (SIAE) To Be Published
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8DC2
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![BU of 8dc2 by Molmil](/molmil-images/mine/8dc2) | Cryo-EM structure of CasLambda (Cas12l) bound to crRNA and DNA | Descriptor: | CasLambda, DNA NTS, DNA TS, ... | Authors: | Al-Shayeb, B, Skopintsev, P, Soczek, K, Doudna, J. | Deposit date: | 2022-06-15 | Release date: | 2022-12-14 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Diverse virus-encoded CRISPR-Cas systems include streamlined genome editors. Cell, 185, 2022
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5LZM
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![BU of 5lzm by Molmil](/molmil-images/mine/5lzm) | COMPARISON OF THE CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 LYSOZYME AT LOW, MEDIUM, AND HIGH IONIC STRENGTHS | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME | Authors: | Bell, J.A, Wilson, K, Zhang, X.-J, Faber, H.R, Nicholson, H, Matthews, B.W. | Deposit date: | 1991-01-25 | Release date: | 1992-07-15 | Last modified: | 2021-06-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Comparison of the crystal structure of bacteriophage T4 lysozyme at low, medium, and high ionic strengths. Proteins, 10, 1991
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7OW0
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![BU of 7ow0 by Molmil](/molmil-images/mine/7ow0) | |
6Z1M
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![BU of 6z1m by Molmil](/molmil-images/mine/6z1m) | Structure of an Ancestral glycosidase (family 1) bound to heme | Descriptor: | 1,2-ETHANEDIOL, Ancestral reconstructed glycosidase, GLYCEROL, ... | Authors: | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Oshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A. | Deposit date: | 2020-05-14 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase. Nat Commun, 12, 2021
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7BNA
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![BU of 7bna by Molmil](/molmil-images/mine/7bna) | |
6Q04
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![BU of 6q04 by Molmil](/molmil-images/mine/6q04) | MERS-CoV S structure in complex with 5-N-acetyl neuraminic acid | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, ... | Authors: | Park, Y.J, Walls, A.C, Wang, Z, Sauer, M, Li, W, Tortorici, M.A, Bosch, B.J, DiMaio, F.D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2019-08-01 | Release date: | 2019-12-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors. Nat.Struct.Mol.Biol., 26, 2019
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7TRC
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![BU of 7trc by Molmil](/molmil-images/mine/7trc) | Human telomerase H/ACA RNP at 3.3 Angstrom | Descriptor: | H/ACA ribonucleoprotein complex subunit 1, H/ACA ribonucleoprotein complex subunit 2, H/ACA ribonucleoprotein complex subunit 3, ... | Authors: | Liu, B, He, Y, Wang, Y, Song, H, Zhou, Z.H, Feigon, J. | Deposit date: | 2022-01-28 | Release date: | 2022-04-20 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of active human telomerase with telomere shelterin protein TPP1. Nature, 604, 2022
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8G3Q
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![BU of 8g3q by Molmil](/molmil-images/mine/8g3q) | |
8G3O
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![BU of 8g3o by Molmil](/molmil-images/mine/8g3o) | N2 neuraminidase of A/Hong_Kong/2671/2019 in complex with 3 FNI9 Fab molecules | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Dang, H.V, Snell, G. | Deposit date: | 2023-02-08 | Release date: | 2023-05-31 | Last modified: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | A pan-influenza antibody inhibiting neuraminidase via receptor mimicry. Nature, 618, 2023
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8G3P
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![BU of 8g3p by Molmil](/molmil-images/mine/8g3p) | N2 neuraminidase of A/Hong_Kong/2671/2019 in complex with 4 FNI9 Fab molecules | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Dang, H.V, Snell, G. | Deposit date: | 2023-02-08 | Release date: | 2023-05-31 | Last modified: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | A pan-influenza antibody inhibiting neuraminidase via receptor mimicry. Nature, 618, 2023
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6Q06
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![BU of 6q06 by Molmil](/molmil-images/mine/6q06) | MERS-CoV S structure in complex with 2,3-sialyl-N-acetyl-lactosamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, ... | Authors: | Park, Y.J, Walls, A.C, Wang, Z, Sauer, M, Li, W, Tortorici, M.A, Bosch, B.J, DiMaio, F.D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2019-08-01 | Release date: | 2019-12-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors. Nat.Struct.Mol.Biol., 26, 2019
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1GID
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![BU of 1gid by Molmil](/molmil-images/mine/1gid) | CRYSTAL STRUCTURE OF A GROUP I RIBOZYME DOMAIN: PRINCIPLES OF RNA PACKING | Descriptor: | COBALT HEXAMMINE(III), MAGNESIUM ION, P4-P6 RNA RIBOZYME DOMAIN | Authors: | Cate, J.H, Gooding, A.R, Podell, E, Zhou, K, Golden, B.L, Kundrot, C.E, Cech, T.R, Doudna, J.A. | Deposit date: | 1996-08-22 | Release date: | 1996-12-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of a group I ribozyme domain: principles of RNA packing. Science, 273, 1996
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7OK1
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![BU of 7ok1 by Molmil](/molmil-images/mine/7ok1) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3 | Descriptor: | Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | Deposit date: | 2021-05-17 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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7OJQ
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![BU of 7ojq by Molmil](/molmil-images/mine/7ojq) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 7 | Descriptor: | 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | Deposit date: | 2021-05-17 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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7OJW
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![BU of 7ojw by Molmil](/molmil-images/mine/7ojw) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 93 | Descriptor: | 2-[2-(2-ethylphenoxy)ethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-~{N}-methyl-ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | Deposit date: | 2021-05-17 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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7OK2
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![BU of 7ok2 by Molmil](/molmil-images/mine/7ok2) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3 | Descriptor: | Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, SULFATE ION, ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | Deposit date: | 2021-05-17 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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8FQQ
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![BU of 8fqq by Molmil](/molmil-images/mine/8fqq) | ADC-162 in complex with boronic acid transition state inhibitor MB076 | Descriptor: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, GLYCINE, ... | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Fernando, M.C. | Deposit date: | 2023-01-06 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum. J.Med.Chem., 66, 2023
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7R6Z
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![BU of 7r6z by Molmil](/molmil-images/mine/7r6z) | OXA-48 bound by Compound 3.3 | Descriptor: | 1,2-ETHANEDIOL, 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid, Beta-lactamase, ... | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T. | Deposit date: | 2021-06-24 | Release date: | 2021-12-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
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6ZAZ
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![BU of 6zaz by Molmil](/molmil-images/mine/6zaz) | Fructo-oligosaccharide transporter BT 1762-63 | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | van den Berg, B. | Deposit date: | 2020-06-06 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Insights into SusCD-mediated glycan import by a prominent gut symbiont. Nat Commun, 12, 2021
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