8HZK
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![BU of 8hzk by Molmil](/molmil-images/mine/8hzk) | A new fluorescent RNA aptamer bound with N, iridium hexammine soak | Descriptor: | (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, DI(HYDROXYETHYL)ETHER, IRIDIUM HEXAMMINE ION, ... | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2023-01-09 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift. Nat.Chem.Biol., 2024
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7EKK
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![BU of 7ekk by Molmil](/molmil-images/mine/7ekk) | Anti-HIV-1 broadly neutralizing antibody delta-loop 4E10 modified with pyrene acetamide | Descriptor: | AMMONIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Caaveiro, J.M.M, Rujas, E, Nieva, J.L. | Deposit date: | 2021-04-05 | Release date: | 2021-08-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Focal accumulation of aromaticity at the CDRH3 loop mitigates 4E10 polyreactivity without altering its HIV neutralization profile. Iscience, 24, 2021
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2E9R
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![BU of 2e9r by Molmil](/molmil-images/mine/2e9r) | Foot-and-mouth disease virus RNA-dependent RNA polymerase in complex with a template-primer RNA and with ribavirin | Descriptor: | 5'-R(*CP*AP*UP*GP*GP*GP*CP*CP*C)-3', 5'-R(*CP*CP*C*GP*GP*GP*CP*CP*C)-3', MAGNESIUM ION, ... | Authors: | Ferrer-Orta, C, Arias, A, Perez-Luque, R, Escarmis, C, Domingo, E, Verdaguer, N. | Deposit date: | 2007-01-26 | Release date: | 2007-06-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Sequential structures provide insights into the fidelity of RNA replication Proc.Natl.Acad.Sci.Usa, 104, 2007
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8HZF
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![BU of 8hzf by Molmil](/molmil-images/mine/8hzf) | A new fluorescent RNA aptamer bound with N565 | Descriptor: | (5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-3-methyl-imidazol-4-one, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2023-01-09 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift. Nat.Chem.Biol., 2024
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8HZL
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![BU of 8hzl by Molmil](/molmil-images/mine/8hzl) | A new fluorescent RNA aptamer_III bound with N | Descriptor: | (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, MAGNESIUM ION, RNA (84-MER) | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2023-01-09 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift. Nat.Chem.Biol., 2024
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5MYD
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![BU of 5myd by Molmil](/molmil-images/mine/5myd) | Convergent evolution involving dimeric and trimeric dUTPases in signalling. | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPase, MAGNESIUM ION | Authors: | Donderis, J, Bowring, J, Maiques, E, Ciges-Tomas, J.R, Alite, C, Mehmedov, I, Tormo-Mas, M.A, Penades, J.R, Marina, A. | Deposit date: | 2017-01-26 | Release date: | 2017-09-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Convergent evolution involving dimeric and trimeric dUTPases in pathogenicity island mobilization. PLoS Pathog., 13, 2017
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1U3S
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![BU of 1u3s by Molmil](/molmil-images/mine/1u3s) | Crystal Structure of Estrogen Receptor beta complexed with WAY-797 | Descriptor: | 3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL, Estrogen receptor beta, steroid receptor coactivator-1 | Authors: | Malamas, M.S, Manas, E.S, McDevitt, R.E, Gunawan, I, Xu, Z.B, Collini, M.D, Miller, C.P, Dinh, T, Henderson, R.A, Keith Jr, J.C, Harris, H.A. | Deposit date: | 2004-07-22 | Release date: | 2005-07-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands. J.Med.Chem., 47, 2004
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5C0Y
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5M5Q
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![BU of 5m5q by Molmil](/molmil-images/mine/5m5q) | COPS5(2-257) IN COMPLEX WITH A AZAINDOLE (COMPOUND 4) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-[(3~{R})-3-(1~{H}-benzimidazol-2-yl)morpholin-4-yl]-3-[2-(4-methyl-2-phenyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one, COP9 signalosome complex subunit 5, ... | Authors: | Renatus, M, Altmann, E. | Deposit date: | 2016-10-22 | Release date: | 2017-01-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Azaindoles as Zinc-Binding Small-Molecule Inhibitors of the JAMM Protease CSN5. Angew. Chem. Int. Ed. Engl., 56, 2017
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4MK4
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![BU of 4mk4 by Molmil](/molmil-images/mine/4mk4) | S197C variant of human ferrochelatase. | Descriptor: | CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferrochelatase, ... | Authors: | Lanzilotta, W.N, Medlock, A.E, Dailey, T.E, Dailey, H.A. | Deposit date: | 2013-09-04 | Release date: | 2013-09-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | S197C variant of human ferrochelatase. To be Published
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2JEL
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![BU of 2jel by Molmil](/molmil-images/mine/2jel) | JEL42 FAB/HPR COMPLEX | Descriptor: | HISTIDINE-CONTAINING PROTEIN, JEL42 FAB FRAGMENT, SULFATE ION | Authors: | Prasad, L, Waygood, E.B, Lee, J.S, Delbaere, L.T.J. | Deposit date: | 1998-02-24 | Release date: | 1998-05-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The 2.5 A resolution structure of the jel42 Fab fragment/HPr complex J.Mol.Biol., 280, 1998
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5M7H
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![BU of 5m7h by Molmil](/molmil-images/mine/5m7h) | Crystal structure of Bacillus subtilis EngA in complex with phosphate ion and GMPPNP | Descriptor: | GTPase Der, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | da Silveira Tome, C, Foucher, A.E, Jault, J.M, Housset, D. | Deposit date: | 2016-10-27 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Crystal structure of Bacillus subtilis EngA in complex with phosphate ion and GMPPNP To Be Published
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7ZML
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![BU of 7zml by Molmil](/molmil-images/mine/7zml) | Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody (Gluebody) G1-001 | Descriptor: | ATP-dependent DNA helicase Q5, Gluebody G1-001, SULFATE ION, ... | Authors: | Ye, M, Makola, M, Newman, J.A, Fairhead, M, MacLean, E, Krojer, T, Aitkenhead, H, Bountra, C, Gileadi, O, von Delft, F. | Deposit date: | 2022-04-19 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Gluebodies improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive crystal contacts To Be Published
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2UZB
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![BU of 2uzb by Molmil](/molmil-images/mine/2uzb) | Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | Descriptor: | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2 | Authors: | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | Deposit date: | 2007-04-27 | Release date: | 2007-06-26 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping. Bioorg.Med.Chem.Lett., 17, 2007
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5MH2
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![BU of 5mh2 by Molmil](/molmil-images/mine/5mh2) | |
8FRC
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![BU of 8frc by Molmil](/molmil-images/mine/8frc) | |
1FNY
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![BU of 1fny by Molmil](/molmil-images/mine/1fny) | LEGUME LECTIN OF THE BARK OF ROBINIA PSEUDOACACIA. | Descriptor: | BARK AGGLUTININ I,POLYPEPTIDE A, CALCIUM ION | Authors: | Rabijns, A, Verboven, C, Rouge, P, Barre, A, Van Damme, E.J, Peumans, W.J, De Ranter, C.J. | Deposit date: | 2000-08-24 | Release date: | 2001-08-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure of a legume lectin from the bark of Robinia pseudoacacia and its complex with N-acetylgalactosamine. Proteins, 44, 2001
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5MMB
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![BU of 5mmb by Molmil](/molmil-images/mine/5mmb) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ434 (compound 6p) | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), GLYCEROL, ... | Authors: | Maskell, D.P, Pye, V.E, Cherepanov, P. | Deposit date: | 2016-12-09 | Release date: | 2017-08-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structure-Guided Optimization of HIV Integrase Strand Transfer Inhibitors. J. Med. Chem., 60, 2017
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8FRA
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![BU of 8fra by Molmil](/molmil-images/mine/8fra) | Mouse acidic mammalian chitinase, catalytic domain in complex with diacetylchitobiose at pH 5.60 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase, ... | Authors: | Diaz, R.E, Fraser, J.S. | Deposit date: | 2023-01-06 | Release date: | 2023-03-08 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase. Biorxiv, 2024
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8FRB
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![BU of 8frb by Molmil](/molmil-images/mine/8frb) | Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.25 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 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)-2-acetylamino-2-deoxy-alpha-L-idopyranose, ... | Authors: | Diaz, R.E, Fraser, J.S. | Deposit date: | 2023-01-06 | Release date: | 2023-03-08 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase. Biorxiv, 2024
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6J8M
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![BU of 6j8m by Molmil](/molmil-images/mine/6j8m) | Low-dose structure of bovine heart cytochrome c oxidase in the fully oxidized state determined using 30 keV X-ray | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Ueno, G, Shimada, A, Yamashita, E, Hasegawa, K, Kumasaka, T, Shinzawa-Itoh, K, Yoshikawa, S, Tsukihara, T, Yamamoto, M. | Deposit date: | 2019-01-20 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Low-dose X-ray structure analysis of cytochrome c oxidase utilizing high-energy X-rays. J.Synchrotron Radiat., 26, 2019
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6EWC
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![BU of 6ewc by Molmil](/molmil-images/mine/6ewc) | Crystal structure of non-phosphorylated form of RLS PHOSPHOPEPTIDE BOUND TO HLA-A2 in complex with LILRB1 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Mohammed, F, Stones, D.H, Willcox, B.E. | Deposit date: | 2017-11-03 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Application of the immunoregulatory receptor LILRB1 as a crystallisation chaperone for human class I MHC complexes. J. Immunol. Methods, 464, 2019
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1FFR
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![BU of 1ffr by Molmil](/molmil-images/mine/1ffr) | CRYSTAL STRUCTURE OF CHITINASE A MUTANT Y390F COMPLEXED WITH HEXA-N-ACETYLCHITOHEXAOSE (NAG)6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE A | Authors: | Papanikolau, Y, Prag, G, Tavlas, G, Vorgias, C.E, Oppenheim, A.B, Petratos, K. | Deposit date: | 2000-07-26 | Release date: | 2001-09-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High resolution structural analyses of mutant chitinase A complexes with substrates provide new insight into the mechanism of catalysis. Biochemistry, 40, 2001
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8FRD
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5MH6
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![BU of 5mh6 by Molmil](/molmil-images/mine/5mh6) | D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with 2-ketohexanoic acid and NAD+ (1.35 A resolution) | Descriptor: | 1,2-ETHANEDIOL, 2-Ketohexanoic acid, D-2-hydroxyacid dehydrogenase, ... | Authors: | Bisson, C, Baker, P.J, Domenech Perez, J, Pramanpol, N, Harding, S.E, Rice, D.W, Ferrer, J. | Deposit date: | 2016-11-23 | Release date: | 2018-06-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism To Be Published
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