7O0R
 
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 15 (ADO_AE_026) | | Descriptor: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | | Deposit date: | 2021-03-26 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the human METTL3-METTL14 complex bound to Compound 15 (ADO_AE_026)
To Be Published
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7O27
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 17 (ADO_AE_005) | | Descriptor: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | | Deposit date: | 2021-03-30 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the human METTL3-METTL14 complex bound to Compound 17 (ADO_AE_005)
To Be Published
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8EZT
 | | Crystal structure of HipB(Lp) from Legionella pneumophila | | Descriptor: | CHLORIDE ION, HipB(Lp) | | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Lin, J, Ensminger, A, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-11-01 | | Release date: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal structure of HipB(Lp) from Legionella pneumophila
To Be Published
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7O28
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 19 (ADO_AE_009) | | Descriptor: | 9-(2-chloranyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | | Deposit date: | 2021-03-30 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Crystal structure of the human METTL3-METTL14 complex bound to Compound 19 (ADO_AE_009)
To Be Published
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7VNN
 | | Complex structure of Clostridioides difficile enzymatic component (CDTa) and binding component (CDTb) pore with long stem | | Descriptor: | ADP-ribosylating binary toxin binding subunit CdtB, CALCIUM ION, CdtA | | Authors: | Yamada, T, Kawamoto, A, Yoshida, T, Sato, Y, Kato, T, Tsuge, H. | | Deposit date: | 2021-10-11 | | Release date: | 2022-10-26 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Cryo-EM structures of the translocational binary toxin complex CDTa-bound CDTb-pore from Clostridioides difficile.
Nat Commun, 13, 2022
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5TMN
 | | Slow-and fast-binding inhibitors of thermolysin display different modes of binding. crystallographic analysis of extended phosphonamidate transition-state analogues | | Descriptor: | CALCIUM ION, N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-leucine, THERMOLYSIN, ... | | Authors: | Holden, H.M, Tronrud, D.E, Monzingo, A.F, Weaver, L.H, Matthews, B.W. | | Deposit date: | 1987-06-29 | | Release date: | 1989-01-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Slow- and fast-binding inhibitors of thermolysin display different modes of binding: crystallographic analysis of extended phosphonamidate transition-state analogues.
Biochemistry, 26, 1987
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5HTB
 | | Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3353 | | Descriptor: | (3R)-4-amino-3-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name), (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | | Authors: | Chaikuad, A, Heroven, C, Lavogina, D, Kestav, K, Uri, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-01-26 | | Release date: | 2016-05-11 | | Last modified: | 2023-04-26 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors.
Acta Crystallogr.,Sect.F, 72, 2016
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8C3F
 | | Double mutant I(L177)H/F(M197)H structure of Photosynthetic Reaction Center From Cereibacter sphaeroides strain RV | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Gabdulkhakov, A.G, Selikhanov, G.K, Fufina, T.Y, Vasilieva, L.G. | | Deposit date: | 2022-12-23 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Properties and Crystal Structure of the Cereibacter sphaeroides Photosynthetic Reaction Center with Double Amino Acid Substitution I(L177)H + F(M197)H.
Membranes (Basel), 13, 2023
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4ZTE
 | | Crystal structure of human E-Cadherin (residues 3-213) in complex with a peptidomimetic inhibitor | | Descriptor: | CALCIUM ION, Cadherin-1, N-{[(2S,5S)-1-benzyl-5-(2-{[(2S,3S)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl)-3,6-dioxopiperazin-2-yl]methyl}-L-alpha-asparagine | | Authors: | Nardone, V, Lucarelli, A.P, Dalle Vedove, A, Parisini, E. | | Deposit date: | 2015-05-14 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Crystal Structure of Human E-Cadherin-EC1EC2 in Complex with a Peptidomimetic Competitive Inhibitor of Cadherin Homophilic Interaction.
J.Med.Chem., 59, 2016
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1A3I
 | | X-RAY CRYSTALLOGRAPHIC DETERMINATION OF A COLLAGEN-LIKE PEPTIDE WITH THE REPEATING SEQUENCE (PRO-PRO-GLY) | | Descriptor: | ACETIC ACID, COLLAGEN-LIKE PEPTIDE | | Authors: | Kramer, R.Z, Vitagliano, L, Bella, J, Berisio, R, Mazzarella, L, Brodsky, B, Zagari, A, Berman, H.M. | | Deposit date: | 1998-01-22 | | Release date: | 1998-05-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | X-ray crystallographic determination of a collagen-like peptide with the repeating sequence (Pro-Pro-Gly).
J.Mol.Biol., 280, 1998
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7O0P
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 10 (ADO_AD_022) | | Descriptor: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | | Deposit date: | 2021-03-26 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the human METTL3-METTL14 complex bound to Compound 10 (ADO_AD_022)
To Be Published
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1A4B
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7SH1
 | | Class II UvrA protein - Ecm16 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Excinuclease ABC subunit UvrA, ... | | Authors: | Grade, P, Erlandson, A, Ullah, A, Mathews, I.I, Chen, X, Kim, C.-Y, Mera, P.E. | | Deposit date: | 2021-10-07 | | Release date: | 2022-10-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural and functional analyses of the echinomycin resistance conferring protein Ecm16 from Streptomyces lasalocidi.
Sci Rep, 13, 2023
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5L10
 | | Crystal Structure of N-Acylhomoserine Lactone Dependent LuxR Family Transcriptionl Factor CepR2 from Burkholderia cenocepacia | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, GLYCEROL, ... | | Authors: | Kim, Y, Chhor, G, Jedrzejczak, R, Winan, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2016-07-28 | | Release date: | 2016-10-26 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal Structure of N-Acylhomoserine Lactone Dependent LuxR Family Transcriptionl Factor CepR2 from Burkholderia cenocepacia.
To Be Published
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8EML
 | | Crystal Structure of Gsx2 Homeodomain in Complex with DNA | | Descriptor: | DNA (5'-D(P*GP*AP*GP*CP*TP*AP*AP*TP*TP*AP*AP*AP*GP*C)-3'), DNA (5'-D(P*GP*CP*TP*TP*TP*AP*AP*TP*TP*AP*GP*CP*TP*C)-3'), GS homeobox 2, ... | | Authors: | Webb, J.A, Kovall, R.A. | | Deposit date: | 2022-09-28 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal Structure of Gsx2 Homeodomain in Complex with DNA
To Be Published
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7Z7D
 | | Tubulin-Todalam-Vinblastine-complex | | Descriptor: | (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Muehlethaler, T, Milanos, L, Ortega, J.A, Blum, T.B, Gioia, D, Roy, B, Prota, A.E, Cavalli, A, Steinmetz, M.O. | | Deposit date: | 2022-03-15 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rational Design of a Novel Tubulin Inhibitor with a Unique Mechanism of Action.
Angew.Chem.Int.Ed.Engl., 61, 2022
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6GR7
 | | Crystal Structure Of Human Transthyretin in complex with 2,4,5-trichlorophenoxyacetic acid (2,4,5-T) | | Descriptor: | 2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid, Transthyretin | | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | | Deposit date: | 2018-06-09 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
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7VNJ
 | | Complex structure of Clostridioides difficile enzymatic component (CDTa) and binding component (CDTb) pore with short stem | | Descriptor: | ADP-ribosylating binary toxin binding subunit CdtB, ADP-ribosyltransferase enzymatic component, CALCIUM ION | | Authors: | Yamada, T, Kawamoto, A, Yoshida, T, Sato, Y, Kato, T, Tsuge, H. | | Deposit date: | 2021-10-11 | | Release date: | 2022-10-26 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.56 Å) | | Cite: | Cryo-EM structures of the translocational binary toxin complex CDTa-bound CDTb-pore from Clostridioides difficile.
Nat Commun, 13, 2022
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1A8P
 | | FERREDOXIN REDUCTASE FROM AZOTOBACTER VINELANDII | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH:FERREDOXIN OXIDOREDUCTASE | | Authors: | Prasad, G.S, Kresge, N, Muhlberg, A.B, Shaw, A, Jung, Y.S, Burgess, B.K, Stout, C.D. | | Deposit date: | 1998-03-28 | | Release date: | 1998-06-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of NADPH:ferredoxin reductase from Azotobacter vinelandii.
Protein Sci., 7, 1998
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1A9B
 | | DECAMER-LIKE CONFORMATION OF A NANO-PEPTIDE BOUND TO HLA-B3501 DUE TO NONSTANDARD POSITIONING OF THE C-TERMINUS | | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-35 B*3501 (ALPHA CHAIN), ... | | Authors: | Menssen, R, Orth, P, Ziegler, A, Saenger, W. | | Deposit date: | 1998-04-03 | | Release date: | 1998-10-21 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Decamer-like conformation of a nona-peptide bound to HLA-B*3501 due to non-standard positioning of the C terminus.
J.Mol.Biol., 285, 1999
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7NR2
 | | The structure of the SBP TarP_Sse in complex with coumarate | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, SULFATE ION, TRAP dicarboxylate transporter, ... | | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | | Deposit date: | 2021-03-02 | | Release date: | 2021-10-06 | | Last modified: | 2022-01-26 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
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7NQG
 | | The structure of the SBP TarP_Rhp in complex with 4-hydroxyphenylacetate | | Descriptor: | 1,2-ETHANEDIOL, 4-HYDROXYPHENYLACETATE, PHOSPHATE ION, ... | | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | | Deposit date: | 2021-03-01 | | Release date: | 2021-10-06 | | Last modified: | 2022-01-26 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
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7NRA
 | | The structure of the SBP TarP_Sse in complex with cinnamate | | Descriptor: | HYDROCINNAMIC ACID, TRAP dicarboxylate transporter, DctP subunit | | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | | Deposit date: | 2021-03-03 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
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1A3K
 | | X-RAY CRYSTAL STRUCTURE OF THE HUMAN GALECTIN-3 CARBOHYDRATE RECOGNITION DOMAIN (CRD) AT 2.1 ANGSTROM RESOLUTION | | Descriptor: | GALECTIN-3, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Seetharaman, J, Kanigsberg, A, Slaaby, R, Leffler, H, Barondes, S.H, Rini, J.M. | | Deposit date: | 1998-01-22 | | Release date: | 1998-07-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | X-ray crystal structure of the human galectin-3 carbohydrate recognition domain at 2.1-A resolution.
J.Biol.Chem., 273, 1998
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1ADF
 | | CRYSTALLOGRAPHIC STUDIES OF TWO ALCOHOL DEHYDROGENASE-BOUND ANALOGS OF THIAZOLE-4-CARBOXAMIDE ADENINE DINUCLEOTIDE (TAD), THE ACTIVE ANABOLITE OF THE ANTITUMOR AGENT TIAZOFURIN | | Descriptor: | ALCOHOL DEHYDROGENASE, BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, ZINC ION | | Authors: | Li, H, Hallows, W.A, Punzi, J.S, Marquez, V.E, Carrell, H.L, Pankiewicz, K.W, Watanabe, K.A, Goldstein, B.M. | | Deposit date: | 1993-10-18 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystallographic studies of two alcohol dehydrogenase-bound analogues of thiazole-4-carboxamide adenine dinucleotide (TAD), the active anabolite of the antitumor agent tiazofurin.
Biochemistry, 33, 1994
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