4FFV
 
 | | Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab | | Descriptor: | 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4 | | Authors: | Wang, Z, Sudom, A, Walker, N.P, Min, X. | | Deposit date: | 2012-06-01 | | Release date: | 2012-12-12 | | Last modified: | 2021-05-19 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
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7BWL
 | | Structure of antibiotic sequester from Pseudomonas aerurinosa | | Descriptor: | UPF0312 protein PA0423, Ubiquinone-8 | | Authors: | Hong, M. | | Deposit date: | 2020-04-14 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of the Pseudomonas aeruginosa PA0423 protein and its functional implication in antibiotic sequestration.
Biochem.Biophys.Res.Commun., 528, 2020
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8HBI
 | | FMDV (A/TUR/14/98) in complex with M688F | | Descriptor: | M688F nab, VP1 of capsid protein, VP2 of capsid protein, ... | | Authors: | Li, H.Z, Dong, H, Liu, P. | | Deposit date: | 2022-10-28 | | Release date: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural and in vivo studies of neutralizing antibody topographical classifications reveal mechanisms underlying differences in immunogenicity and antigenicity between 146S and 12S of foot-and-mouth disease virus
To Be Published
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6D6L
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6JVL
 | | Crystal structure of human MTH1 in complex with compound MI1014 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine | | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | | Deposit date: | 2019-04-17 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
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8CGI
 | | Pentacycline TP038 bound to the 30S head | | Descriptor: | 16S rRNA, 30S ribosomal protein S7, Large ribosomal subunit protein bL31A, ... | | Authors: | Paternoga, H, Crowe-McAuliffe, C, Novacek, J, Wilson, D.N. | | Deposit date: | 2023-02-04 | | Release date: | 2023-07-26 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (1.89 Å) | | Cite: | Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
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6D40
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6D3Y
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8CJI
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-052 | | Descriptor: | FE (III) ION, Tryptophan 5-hydroxylase 1, methyl (2~{S})-2-azanyl-3-[[3-[[3-ethyl-2,6-bis(oxidanylidene)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]carbonylamino]propanoate | | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | Deposit date: | 2023-02-13 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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6DS2
 | | Crystal structure of Ni(II)-bound human calprotectin | | Descriptor: | NICKEL (II) ION, Protein S100-A8, Protein S100-A9, ... | | Authors: | Nolan, E.M, Drennan, C.L, Nakashige, T.G. | | Deposit date: | 2018-06-13 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Biophysical Examination of the Calcium-Modulated Nickel-Binding Properties of Human Calprotectin Reveals Conformational Change in the EF-Hand Domains and His3Asp Site.
Biochemistry, 57, 2018
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8CJJ
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-057 | | Descriptor: | 3-ethyl-7-(phenylmethyl)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | Deposit date: | 2023-02-13 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.66415656 Å) | | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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8C39
 | | X-ray structure of HEWL upon reaction with a Ruthenium(II)-arene Complexed with Glycosylated Carbene Ligands (5) | | Descriptor: | CHLORIDE ION, Lysozyme, NITRATE ION, ... | | Authors: | Ferraro, G, Merlino, A. | | Deposit date: | 2022-12-23 | | Release date: | 2024-01-10 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Ruthenium(II)–Arene Complexes with Glycosylated NHC-Carbene Co-Ligands: Synthesis, Hydrolytic Behavior, and Binding to Biological Molecules
Organometallics, 42, 2023
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8CJK
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-098 | | Descriptor: | 3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | Deposit date: | 2023-02-13 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45914972 Å) | | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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8CJN
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-070 | | Descriptor: | 3-ethyl-7-[(4-phenylphenyl)methyl]-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | Deposit date: | 2023-02-13 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.68080938 Å) | | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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7KQ4
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2JID
 | | Human Dipeptidyl peptidase IV in complex with 1-(3,4-Dimethoxy-phenyl) -3-m-tolyl-piperidine-4-ylamine | | Descriptor: | (3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIPEPTIDYL PEPTIDASE 4 | | Authors: | Hennig, M, Stihle, M, Luebbers, T, Thoma, R. | | Deposit date: | 2007-02-28 | | Release date: | 2008-05-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 1,3-Disubstituted 4-Aminopiperidines as Useful Tools in the Optimization of the 2-Aminobenzo[A]Quinolizine Dipeptidyl Peptidase Iv Inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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7KQ3
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6KU3
 | | Crystal structure of gibberellin 2-oxidase3 (GA2ox3)in rice | | Descriptor: | 2-OXOGLUTARIC ACID, GIBBERELLIN A4, GLYCEROL, ... | | Authors: | Takehara, S, Mikami, B, Sakuraba, S, Matsuoka, M, Ueguchi-Tanaka, M. | | Deposit date: | 2019-08-30 | | Release date: | 2020-05-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A common allosteric mechanism regulates homeostatic inactivation of auxin and gibberellin.
Nat Commun, 11, 2020
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6TQJ
 | | Crystal structure of the c14 ring of the F1FO ATP synthase from spinach chloroplast | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ATP synthase subunit c, chloroplastic, ... | | Authors: | Kovalev, K, Gushchin, I, Vlasov, A, Round, E, Polovinkin, V, Gordeliy, V. | | Deposit date: | 2019-12-16 | | Release date: | 2019-12-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Unusual features of the c-ring of F1FOATP synthases.
Sci Rep, 9, 2019
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2IIV
 | | Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor | | Descriptor: | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Scapin, G, Weber, A.E, Biftu, T. | | Deposit date: | 2006-09-28 | | Release date: | 2006-11-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | (3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
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2IWW
 | | Structure of the monomeric outer membrane porin OmpG in the open and closed conformation | | Descriptor: | LAURYL DIMETHYLAMINE-N-OXIDE, OUTER MEMBRANE PROTEIN G, beta-D-glucopyranose, ... | | Authors: | Yildiz, O, Vinothkumar, K.R, Goswami, P, Kuehlbrandt, W. | | Deposit date: | 2006-07-05 | | Release date: | 2006-08-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the Monomeric Outer-Membrane Porin Ompg in the Open and Closed Conformation.
Embo J., 25, 2006
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6L3A
 | | Cytochrome P450 107G1 (RapN) with everolimus | | Descriptor: | Cytochrome P450, Everolimus, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Km, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W. | | Deposit date: | 2019-10-10 | | Release date: | 2020-09-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus.
Arch.Biochem.Biophys., 692, 2020
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8HZ4
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6U5T
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2IIT
 | | Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor | | Descriptor: | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Scapin, G, Biftu, T, Weber, A.E. | | Deposit date: | 2006-09-28 | | Release date: | 2006-11-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | (3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
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