3MBA
 
 | | APLYSIA LIMACINA MYOGLOBIN. CRYSTALLOGRAPHIC ANALYSIS AT 1.6 ANGSTROMS RESOLUTION | | Descriptor: | FLUORIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Bolognesi, M, Onesti, S, Gatti, G, Coda, A, Ascenzi, P, Brunori, M. | | Deposit date: | 1989-02-22 | | Release date: | 1990-01-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Aplysia limacina myoglobin. Crystallographic analysis at 1.6 A resolution.
J.Mol.Biol., 205, 1989
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6M7L
 | | Complex of OxyA with the X-domain from GPA biosynthesis | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase, Putative non-ribosomal peptide synthetase | | Authors: | Greule, A, Izore, T, Tailhades, J, Peschke, M, Schoppet, M, Ahmed, I, Kulik, A, Adamek, M, Ziemert, N, De Voss, J, Stegmann, E, Cryle, M.J. | | Deposit date: | 2018-08-20 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.648297 Å) | | Cite: | Kistamicin biosynthesis reveals the biosynthetic requirements for production of highly crosslinked glycopeptide antibiotics.
Nat Commun, 10, 2019
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5UK8
 | | The co-structure of (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine and a rationally designed PI3K-alpha mutant that mimics ATR | | Descriptor: | (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Knapp, M.S, Mamo, M, Elling, R.A. | | Deposit date: | 2017-01-20 | | Release date: | 2017-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Rationally Designed PI3K alpha Mutants to Mimic ATR and Their Use to Understand Binding Specificity of ATR Inhibitors.
J. Mol. Biol., 429, 2017
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5V2H
 | | RNA octamer containing glycol nucleic acid, SgnT | | Descriptor: | COBALT HEXAMMINE(III), MAGNESIUM ION, RNA (5'-R(*(CBV)P*GP*AP*AP*(ZTH)P*UP*CP*G)-3') | | Authors: | Harp, J.M, Egli, M. | | Deposit date: | 2017-03-04 | | Release date: | 2017-06-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.080013 Å) | | Cite: | Chirality Dependent Potency Enhancement and Structural Impact of Glycol Nucleic Acid Modification on siRNA.
J. Am. Chem. Soc., 139, 2017
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5VAL
 | | BRAF in Complex with N-(3-(tert-butyl)phenyl)-4-methyl-3-(6-morpholinopyrimidin-4-yl)benzamide | | Descriptor: | N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2017-03-27 | | Release date: | 2017-06-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
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7R5B
 | | Crystal structure of BRD4(1) in complex with the inhibitor MPM2 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one, Bromodomain-containing protein 4, ... | | Authors: | Huegle, M. | | Deposit date: | 2022-02-10 | | Release date: | 2023-02-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | A novel pan-selective bromodomain inhibitor for epigenetic drug design
Eur.J.Med.Chem., 249, 2023
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5VAB
 | | Crystal structure of ATXR5 PHD domain in complex with histone H3 | | Descriptor: | ATXR5 PHD domain, Histone H3 peptide, ZINC ION | | Authors: | Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.-F. | | Deposit date: | 2017-03-24 | | Release date: | 2017-04-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Molecular basis for the methylation specificity of ATXR5 for histone H3.
Nucleic Acids Res., 45, 2017
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5LLQ
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6GWA
 | | Concanavalin B structure determined with data from the EuXFEL, the first MHz free electron laser | | Descriptor: | Concanavalin B | | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | | Deposit date: | 2018-06-22 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
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6RCF
 | | ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OH | | Descriptor: | 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid, NITRATE ION, Protein enabled homolog | | Authors: | Barone, M, Roske, Y. | | Deposit date: | 2019-04-11 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5LO5
 | | HSP90 WITH indole derivative | | Descriptor: | 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{H}-indole-5-carbonitrile, Heat shock protein HSP 90-alpha | | Authors: | Graedler, U, Amaral, M. | | Deposit date: | 2016-08-08 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
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5XQJ
 | | Crystal structure of a PL 26 exo-rhamnogalacturonan lyase from Penicillium chrysogenum complexed with unsaturated galacturonosyl rhamnose substituted with galactose | | Descriptor: | 2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid-(1-2)-[beta-D-galactopyranose-(1-4)]alpha-L-rhamnopyranose, 2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid-(1-2)-alpha-L-rhamnopyranose, CALCIUM ION, ... | | Authors: | Kunishige, Y, Iwai, M, Tada, T, Nishimura, S, Sakamoto, T. | | Deposit date: | 2017-06-07 | | Release date: | 2018-04-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure of exo-rhamnogalacturonan lyase from Penicillium chrysogenum as a member of polysaccharide lyase family 26
FEBS Lett., 592, 2018
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1D9F
 | | CRYSTAL STRUCTURE OF THE COMPLEX OF DNA POLYMERASE I KLENOW FRAGMENT WITH DNA TETRAMER CARRYING 2'-O-(3-AMINOPROPYL)-RNA MODIFICATION 5'-D(TT)-AP(U)-D(T)-3' | | Descriptor: | DNA POLYMERASE I, DNA/RNA (5'-D(*TP*TP)-R(*(U31)P)-D(*T)-3'), SULFATE ION, ... | | Authors: | Teplova, M, Wallace, S.T, Tereshko, V, Minasov, G, Simons, A.M, Cook, P.D, Manoharan, M, Egli, M. | | Deposit date: | 1999-10-27 | | Release date: | 1999-12-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural origins of the exonuclease resistance of a zwitterionic RNA.
Proc.Natl.Acad.Sci.USA, 96, 1999
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5LO6
 | | HSP90 WITH indazole derivative | | Descriptor: | 3-(3,3-dimethylbutyl)-~{N}-methyl-~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-6-oxidanyl-2~{H}-indazole-5-carboxamide, Heat shock protein HSP 90-alpha | | Authors: | Graedler, U, Amaral, M. | | Deposit date: | 2016-08-08 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
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5V1K
 | | Structure of R-GNA dodecamer | | Descriptor: | RNA (5'-R(*CP*GP*CP*GP*AP*AP*(5BU)P*(8RJ)P*AP*GP*CP*G)-3') | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2017-03-02 | | Release date: | 2017-06-21 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Chirality Dependent Potency Enhancement and Structural Impact of Glycol Nucleic Acid Modification on siRNA.
J. Am. Chem. Soc., 2017
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5FOZ
 | | De novo structure of the binary mosquito larvicide BinAB at pH 10 | | Descriptor: | LARVICIDAL TOXIN PROTEIN, SODIUM ION, TOXIN | | Authors: | Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S. | | Deposit date: | 2015-11-26 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
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5W6L
 | | Crystal Structure of RRSP, a MARTX Toxin Effector Domain from Vibrio vulnificus CMCP6 | | Descriptor: | CHLORIDE ION, GLYCEROL, RTX repeat-containing cytotoxin, ... | | Authors: | Minasov, G, Wawrzak, Z, Biancucci, M, Shuvalova, L, Dubrovska, I, Satchell, K.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-06-16 | | Release date: | 2018-06-27 | | Last modified: | 2018-10-10 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | The bacterial Ras/Rap1 site-specific endopeptidase RRSP cleaves Ras through an atypical mechanism to disrupt Ras-ERK signaling.
Sci Signal, 11, 2018
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7XJO
 | | Crystal structure of human MMP-2 catalytic domain in complex with inhibitor | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kamitani, M, Mima, M, Takeuchi, T. | | Deposit date: | 2022-04-18 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 65, 2022
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7XGJ
 | | Crystal structure of human MMP-2 catalytic domain in complex with inhibitor | | Descriptor: | CALCIUM ION, GZS-ASN-ASP-ALA-LEU-IML-EOE-NH2, Matrix metalloproteinase-2, ... | | Authors: | Kamitani, M, Mima, M, Takeuchi, T. | | Deposit date: | 2022-04-05 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 65, 2022
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6F3H
 | | Crystal structure of Dss1 exoribonuclease active site mutant D477N from Candida glabrata | | Descriptor: | Exoribonuclease II, mitochondrial, MAGNESIUM ION, ... | | Authors: | Razew, M, Nowak, E, Nowotny, M. | | Deposit date: | 2017-11-28 | | Release date: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Structural analysis of mtEXO mitochondrial RNA degradosome reveals tight coupling of nuclease and helicase components.
Nat Commun, 9, 2018
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5XQ3
 | | Crystal structure of a PL 26 exo-rhamnogalacturonan lyase from Penicillium chrysogenum | | Descriptor: | CALCIUM ION, Pcrglx protein | | Authors: | Kunishige, Y, Iwai, M, Tada, T, Nishimura, S, Sakamoto, T. | | Deposit date: | 2017-06-06 | | Release date: | 2018-03-21 | | Last modified: | 2018-05-16 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal structure of exo-rhamnogalacturonan lyase from Penicillium chrysogenum as a member of polysaccharide lyase family 26
FEBS Lett., 592, 2018
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1D8Y
 | | CRYSTAL STRUCTURE OF THE COMPLEX OF DNA POLYMERASE I KLENOW FRAGMENT WITH DNA | | Descriptor: | D(T)19 OLIGOMER, DNA POLYMERASE I, SULFATE ION, ... | | Authors: | Teplova, M, Wallace, S.T, Tereshko, V, Minasov, G, Simons, A.M, Cook, P.D, Manoharan, M, Egli, M. | | Deposit date: | 1999-10-26 | | Release date: | 1999-12-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural origins of the exonuclease resistance of a zwitterionic RNA.
Proc.Natl.Acad.Sci.USA, 96, 1999
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6MST
 | | Cryo-EM structure of human AA amyloid fibril | | Descriptor: | Serum amyloid A-1 protein | | Authors: | Loerch, S, Rennegarbe, M, Liberta, F, Grigorieff, N, Fandrich, M, Schmidt, M. | | Deposit date: | 2018-10-18 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Cryo-EM fibril structures from systemic AA amyloidosis reveal the species complementarity of pathological amyloids.
Nat Commun, 10, 2019
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1D9H
 | | Structural origins of the exonuclease resistance of a zwitterionic RNA | | Descriptor: | DNA/RNA (5'-D(*GP*CP*GP*TP*AP)-R(*(U31)P)-D(*AP*CP*GP*C)-3') | | Authors: | Teplova, M, Wallace, S.T, Tereshko, V, Minasov, G, Simons, A.M, Cook, P.D, Manoharan, M, Egli, M. | | Deposit date: | 1999-10-27 | | Release date: | 1999-12-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural origins of the exonuclease resistance of a zwitterionic RNA
Proc.Natl.Acad.Sci.USA, 96, 1999
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1CEX
 | | STRUCTURE OF CUTINASE | | Descriptor: | CUTINASE | | Authors: | Longhi, S, Czjzek, M, Lamzin, V, Nicolas, A, Cambillau, C. | | Deposit date: | 1997-02-18 | | Release date: | 1997-08-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Atomic resolution (1.0 A) crystal structure of Fusarium solani cutinase: stereochemical analysis.
J.Mol.Biol., 268, 1997
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