6RKO
 
 | | Cryo-EM structure of the E. coli cytochrome bd-I oxidase at 2.68 A resolution | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-I ubiquinol oxidase subunit 1, ... | | Authors: | Safarian, S, Hahn, A, Kuehlbrandt, W, Michel, H. | | Deposit date: | 2019-04-30 | | Release date: | 2019-10-16 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Active site rearrangement and structural divergence in prokaryotic respiratory oxidases.
Science, 366, 2019
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4XGK
 | | Crystal structure of UDP-galactopyranose mutase from Corynebacterium diphtheriae in complex with 2-[4-(4-chlorophenyl)-7-(2-thienyl)-2-thia-5,6,8,9-tetrazabicyclo[4.3.0]nona-4,7,9-trien-3-yl]acetic | | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, UDP-galactopyranose mutase, ... | | Authors: | Wangkanont, K, Heroux, A, Forest, K.T, Kiessling, L.L. | | Deposit date: | 2014-12-31 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.652 Å) | | Cite: | Virtual Screening for UDP-Galactopyranose Mutase Ligands Identifies a New Class of Antimycobacterial Agents.
Acs Chem.Biol., 10, 2015
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7A02
 | | Bacillus endospore appendages form a novel family of disulfide-linked pili | | Descriptor: | DUF3992 domain-containing protein | | Authors: | Pradhan, B, Liedtke, J, Sleutel, M, Lindback, T, Llarena, A.K, Brynildsrud, O, Aspholm, M, Remaut, H. | | Deposit date: | 2020-08-06 | | Release date: | 2021-04-28 | | Last modified: | 2021-09-15 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Endospore Appendages: a novel pilus superfamily from the endospores of pathogenic Bacilli.
Embo J., 40, 2021
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4XNQ
 | | Antibody hemagglutinin Complexes | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, H5.3 Light chain, H5.3 heavy chain, ... | | Authors: | Spiller, B.W, Winarski, K.L. | | Deposit date: | 2015-01-15 | | Release date: | 2015-07-15 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Vaccine-elicited antibody that neutralizes H5N1 influenza and variants binds the receptor site and polymorphic sites.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5LSL
 | | Crystal structure of yeast Hsh49p in complex with Cus1p binding domain. | | Descriptor: | Cold sensitive U2 snRNA suppressor 1, Protein HSH49 | | Authors: | van Roon, A.M, Obayashi, E, Sposito, B, Oubridge, C, Nagai, K. | | Deposit date: | 2016-09-02 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of U2 snRNP SF3b components: Hsh49p in complex with Cus1p-binding domain.
RNA, 23, 2017
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7A5B
 | | Structure of DYRK1A in complex with complex 10 | | Descriptor: | 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | | Deposit date: | 2020-08-20 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
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4XC9
 | | Crystal Structure of apo HygX from Streptomyces hygroscopicus | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, oxidase/hydroxylase | | Authors: | McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M. | | Deposit date: | 2014-12-17 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
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8PAR
 | | Crystal structure of human MAP4K1 with an inhibitor, BAY-405 | | Descriptor: | GLYCEROL, Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[3,5-bis(fluoranyl)-4-[[3-[1-(trifluoromethyl)cyclopropyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-2,9-dioxa-4-azaspiro[5.5]undec-3-en-3-amine | | Authors: | Schaefer, M. | | Deposit date: | 2023-06-08 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
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8HY2
 | | Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid | | Descriptor: | 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | | Authors: | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | Deposit date: | 2023-01-05 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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8HYD
 | | Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(2-(thiophen-2-yl)ethyl)thiazole-4-carboxylic acid | | Descriptor: | 2-azanyl-5-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION | | Authors: | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | Deposit date: | 2023-01-06 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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8EVW
 | | DdlA from Pseudomonas aeruginosa PAO1 in complex with ATP and D-ala-D-ala | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase A, ... | | Authors: | Pederick, J.L, Woolman, J.C, Bruning, J.B. | | Deposit date: | 2022-10-21 | | Release date: | 2023-08-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
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8EVV
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8EVX
 | | DdlA from Pseudomonas aeruginosa PAO1 in complex with ADP and phosphorylated D-cycloserine | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase A, MAGNESIUM ION, ... | | Authors: | Pederick, J.L, Woolman, J.C, Bruning, J.B. | | Deposit date: | 2022-10-21 | | Release date: | 2023-08-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
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8T6N
 | | Crystal structure of T33-27.1: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles | | Descriptor: | T33-27.1 : A, T33-27.1 : B | | Authors: | Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P. | | Deposit date: | 2023-06-16 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (3.63 Å) | | Cite: | Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
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5IJB
 | | The ligand-free structure of the mouse TLR4/MD-2 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte antigen 96, ... | | Authors: | Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B. | | Deposit date: | 2016-03-01 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS.
Proc.Natl.Acad.Sci.USA, 113, 2016
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7ADF
 | | SFX structure of dehaloperoxidase B in the ferric form | | Descriptor: | Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Moreno Chicano, T, Ebrahim, A.E, Axford, D.A, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Worrall, J.W, Strange, R.W, Owen, R.L, Hough, M.A. | | Deposit date: | 2020-09-14 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | SFX structure of dehaloperoxidase B in the ferric form
to be published
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1FP4
 | | CRYSTAL STRUCTURE OF THE ALPHA-H195Q MUTANT OF NITROGENASE | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE-MO-S CLUSTER, ... | | Authors: | Sorlie, M, Christiansen, J, Lemon, B.J, Peters, J.W, Dean, D.R, Hales, B.J. | | Deposit date: | 2000-08-30 | | Release date: | 2002-11-20 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanistic features and structure of the nitrogenase alpha-Gln195 MoFe protein
Biochemistry, 40, 2001
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5IWI
 | | 1.98A structure of GSK945237 with S.aureus DNA gyrase and singly nicked DNA | | Descriptor: | (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3'), ... | | Authors: | Bax, B.D, Miles, T.J. | | Deposit date: | 2016-03-22 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Novel tricyclics (e.g., GSK945237) as potent inhibitors of bacterial type IIA topoisomerases.
Bioorg.Med.Chem.Lett., 26, 2016
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1FI8
 | | RAT GRANZYME B [N66Q] COMPLEXED TO ECOTIN [81-84 IEPD] | | Descriptor: | ECOTIN, NATURAL KILLER CELL PROTEASE 1 | | Authors: | Waugh, S.M, Harris, J.L, Fletterick, R.J, Craik, C.S. | | Deposit date: | 2000-08-03 | | Release date: | 2000-09-13 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The structure of the pro-apoptotic protease granzyme B reveals the molecular determinants of its specificity
Nat.Struct.Biol., 7, 2000
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7YRN
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8IP0
 | | Cryo-EM structure of type I-B Cascade bound to a PAM-containing dsDNA target at 3.6 angstrom resolution | | Descriptor: | CRISPR associated protein Cas11b, DNA (41-MER), DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), ... | | Authors: | Xiao, Y, Lu, M, Yu, C, Zhang, Y. | | Deposit date: | 2023-03-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure and genome editing of type I-B CRISPR-Cas.
Nat Commun, 15, 2024
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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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8PNV
 | | Cryo-EM structure of styrene oxide isomerase | | Descriptor: | Nanobody, PROTOPORPHYRIN IX CONTAINING FE, Styrene oxide isomerase | | Authors: | Khanppnavar, B, Korkhov, B, Li, X. | | Deposit date: | 2023-07-02 | | Release date: | 2024-04-03 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.048 Å) | | Cite: | Structural basis of the Meinwald rearrangement catalysed by styrene oxide isomerase.
Nat.Chem., 2024
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6F1X
 | | Complex between MTH1 and compound 7 (a 7-azaindole-2-amide derivative) | | Descriptor: | 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | Authors: | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | | Deposit date: | 2017-11-23 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
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7T3D
 | | CryoEM map of anchor 222-1C06 Fab and lateral patch 2B05 Fab binding H1 HA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 222-1C06 mAb heavy chain, ... | | Authors: | Han, J, Ward, A.B. | | Deposit date: | 2021-12-07 | | Release date: | 2022-01-12 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Broadly neutralizing antibodies target a haemagglutinin anchor epitope.
Nature, 602, 2022
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