7N5P
 
 | | 6218 TCR in complex with H2-Db PA224-233 with a cysteine mutant | | Descriptor: | Beta-2-microglobulin, Fusion protein of T cell receptor alpha variable 21-DV12 and T-cell receptor, sp3.4 alpha chain, ... | | Authors: | Szeto, C, Gras, S. | | Deposit date: | 2021-06-06 | | Release date: | 2022-07-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Covalent TCR-peptide-MHC interactions induce T cell activation and redirect T cell fate in the thymus.
Nat Commun, 13, 2022
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4MNQ
 | | TCR-peptide specificity overrides affinity enhancing TCR-MHC interactions | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Sewell, A.K, Jakobsen, B.K. | | Deposit date: | 2013-09-11 | | Release date: | 2013-11-13 | | Last modified: | 2017-08-02 | | Method: | X-RAY DIFFRACTION (2.742 Å) | | Cite: | T-cell receptor (TCR)-peptide specificity overrides affinity-enhancing TCR-major histocompatibility complex interactions.
J.Biol.Chem., 289, 2014
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2G0H
 | | Structure-based drug design of a novel family of PPAR partial agonists: virtual screening, x-ray crystallography and in vitro/in vivo biological activities | | Descriptor: | N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]-3,5-BIS(TRIFLUOROMETHYL)BENZENESULFONAMIDE, Peroxisome proliferator-activated receptor gamma | | Authors: | Lu, I.L, Peng, Y.H, Huang, C.F, Lin, Y.T, Hsu, J.T.A, Wu, S.Y. | | Deposit date: | 2006-02-13 | | Release date: | 2006-05-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Drug Design of a Novel Family of PPARgamma Partial Agonists: Virtual Screening, X-ray Crystallography, and in Vitro/in Vivo Biological Activities
J.Med.Chem., 49, 2006
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3PQY
 | | Crystal Structure of 6218 TCR in complex with the H2Db-PA224 | | Descriptor: | 10-mer peptide from RNA-directed RNA polymerase, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | | Authors: | Gras, S, Guillonneau, C, Turner, S.J, Rossjohn, J. | | Deposit date: | 2010-11-28 | | Release date: | 2011-05-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.192 Å) | | Cite: | Structural basis for enabling T-cell receptor diversity within biased virus-specific CD8+ T-cell responses
Proc.Natl.Acad.Sci.USA, 108, 2011
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2W7Y
 | | Structure of a Streptococcus pneumoniae solute-binding protein in complex with the blood group A-trisaccharide. | | Descriptor: | IODIDE ION, PROBABLE SUGAR ABC TRANSPORTER, SUGAR-BINDING PROTEIN, ... | | Authors: | Higgins, M.A, Abbott, D.W, Boulanger, M.J, Boraston, A.B. | | Deposit date: | 2009-01-06 | | Release date: | 2009-03-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Blood-Group Antigen Recognition by a Solute-Binding Protein from a Serotype 3 Strain of Streptococcus Pneumoniae.
J.Mol.Biol., 388, 2009
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5DVP
 | | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with Doripenem adduct | | Descriptor: | (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, L,D-transpeptidase 2, PHOSPHONOACETALDEHYDE, ... | | Authors: | Kumar, P, Lamichhane, G. | | Deposit date: | 2015-09-21 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
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8BZP
 | | JNK3 (Mitogen-activated protein kinase 10) in Complex with Compound 23 bearing a C(sp3)F2Br moiety | | Descriptor: | 1,2-ETHANEDIOL, 2-bromanyl-2,2-bis(fluoranyl)-~{N}-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide, BETA-MERCAPTOETHANOL, ... | | Authors: | Stahlecker, J, Vaas, S, Stehle, T, Boeckler, F.M. | | Deposit date: | 2022-12-15 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Principles and Applications of CF 2 X Moieties as Unconventional Halogen Bond Donors in Medicinal Chemistry, Chemical Biology, and Drug Discovery.
J.Med.Chem., 66, 2023
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5CTN
 | | Structure of BPu1 beta-lactamase | | Descriptor: | (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase, CITRATE ANION | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2015-07-24 | | Release date: | 2015-11-25 | | Last modified: | 2016-10-05 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Class D beta-lactamases do exist in Gram-positive bacteria.
Nat.Chem.Biol., 12, 2016
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5YL3
 | | Crystal structure of horse heart myoglobin reconstituted with manganese porphycene in resting state at pH 8.5 | | Descriptor: | Myoglobin, PORPHYCENE CONTAINING MN, SULFATE ION | | Authors: | Oohora, K, Meichin, H, Kihira, Y, Sugimoto, H, Shiro, Y, Hayashi, T. | | Deposit date: | 2017-10-17 | | Release date: | 2017-12-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Manganese(V) Porphycene Complex Responsible for Inert C-H Bond Hydroxylation in a Myoglobin Matrix.
J. Am. Chem. Soc., 139, 2017
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6PXX
 | | Class D beta-lactamase in complex with beta-lactam antibiotic | | Descriptor: | (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | van den Akker, F, Kumar, V. | | Deposit date: | 2019-07-28 | | Release date: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Analysis of The OXA-48 Carbapenemase Bound to A "Poor" Carbapenem Substrate, Doripenem.
Antibiotics, 8, 2019
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6PW8
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3IQA
 | | Crystal Structure of BlaC covalently bound with Doripenem | | Descriptor: | (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Tremblay, L.W, Blanchard, J.S. | | Deposit date: | 2009-08-19 | | Release date: | 2010-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Biochemical and structural characterization of Mycobacterium tuberculosis beta-lactamase with the carbapenems ertapenem and doripenem.
Biochemistry, 49, 2010
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3ISG
 | | Structure of the class D beta-lactamase OXA-1 in complex with doripenem | | Descriptor: | (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase OXA-1 | | Authors: | Powers, R.A. | | Deposit date: | 2009-08-25 | | Release date: | 2009-12-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The 1.4 A crystal structure of the class D beta-lactamase OXA-1 complexed with doripenem.
Biochemistry, 48, 2009
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3WJM
 | | Crystal structure of Bombyx mori Sp2/Sp3 heterohexamer | | Descriptor: | Arylphorin, Silkworm storage protein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yuan, Y.A, Hou, Y. | | Deposit date: | 2013-10-11 | | Release date: | 2014-09-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of Bombyx mori arylphorins reveals a 3:3 heterohexamer with multiple papain cleavage sites
Protein Sci., 23, 2014
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7RPF
 | | X-ray crystal structure of OXA-24/40 in complex with doripenem | | Descriptor: | (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, BICARBONATE ION, ... | | Authors: | Powers, R.A, Mitchell, J.M, June, C.M. | | Deposit date: | 2021-08-03 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Conformational flexibility in carbapenem hydrolysis drives substrate specificity of the class D carbapenemase OXA-24/40.
J.Biol.Chem., 298, 2022
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5JFT
 | | Zebra Fish Caspase-3 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASK, ... | | Authors: | Tucker, M.B, MacKenzie, S.H, Maciag, J.J, Dirscherl, H, Swartz, P.D, Yoder, J.A, Hamilton, P.T, Clark, A.C. | | Deposit date: | 2016-04-19 | | Release date: | 2016-10-26 | | Last modified: | 2016-11-02 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Phage display and structural studies reveal plasticity in substrate specificity of caspase-3a from zebrafish.
Protein Sci., 25, 2016
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1N4K
 | | Crystal structure of the inositol 1,4,5-trisphosphate receptor binding core in complex with IP3 | | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 1 | | Authors: | Bosanac, I, Alattia, J.R, Mal, T.K, Chan, J, Talarico, S, Tong, F.K, Tong, K.I, Yoshikawa, F, Furuichi, T, Iwai, M, Michikawa, T, Mikoshiba, K, Ikura, M. | | Deposit date: | 2002-10-31 | | Release date: | 2002-12-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the inositol 1,4,5-trisphosphate receptor
binding core in complex with its ligand.
Nature, 420, 2002
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2K87
 | | NMR STRUCTURE OF A PUTATIVE RNA BINDING PROTEIN (SARS1) FROM SARS CORONAVIRUS | | Descriptor: | Non-structural protein 3 of Replicase polyprotein 1a | | Authors: | Serrano, P, Wuthrich, K, Johnson, M.A, Chatterjee, A, Wilson, I, Pedrini, B.F, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2008-09-02 | | Release date: | 2008-09-16 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Nuclear magnetic resonance structure of the nucleic acid-binding domain of severe acute respiratory syndrome coronavirus nonstructural protein 3.
J.Virol., 83, 2009
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4GUA
 | | Alphavirus P23pro-zbd | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Non-structural polyprotein, SULFATE ION, ... | | Authors: | Shin, G, Yost, S, Miller, M, Marcotrigiano, J. | | Deposit date: | 2012-08-29 | | Release date: | 2012-10-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.854 Å) | | Cite: | Structural and functional insights into alphavirus polyprotein processing and pathogenesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
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6DCS
 | | Stage III sporulation protein AF (SpoIIIAF) | | Descriptor: | SULFATE ION, Stage III sporulation protein AF | | Authors: | Strynadka, N.C.J, Zeytuni, N, Camp, A.H, Flanagan, K.A. | | Deposit date: | 2018-05-08 | | Release date: | 2018-07-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and biochemical characterization of SpoIIIAF, a component of a sporulation-essential channel in Bacillus subtilis.
J. Struct. Biol., 204, 2018
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3T8S
 | | Apo and InsP3-bound Crystal Structures of the Ligand-Binding Domain of an InsP3 Receptor | | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 1 | | Authors: | Lin, C, Baek, K, Lu, Z. | | Deposit date: | 2011-08-01 | | Release date: | 2011-09-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.77 Å) | | Cite: | Apo and InsP(3)-bound crystal structures of the ligand-binding domain of an InsP(3) receptor.
Nat.Struct.Mol.Biol., 18, 2011
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8HDA
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5NRL
 | | Structure of a pre-catalytic spliceosome. | | Descriptor: | 13 kDa ribonucleoprotein-associated protein, 23 kDa U4/U6.U5 small nuclear ribonucleoprotein component, 66 kDa U4/U6.U5 small nuclear ribonucleoprotein component, ... | | Authors: | Plaschka, C, Lin, P.-C, Nagai, K. | | Deposit date: | 2017-04-24 | | Release date: | 2017-05-31 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (7.2 Å) | | Cite: | Structure of a pre-catalytic spliceosome.
Nature, 546, 2017
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8CB3
 | | SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, Papain-like protease nsp3 | | Authors: | Morin, B, Ferron, F, Coutard, B, Canard, B, Marseilles Structural Genomics Program @ AFMB (MSGP) | | Deposit date: | 2023-01-25 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.572 Å) | | Cite: | SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid
To Be Published
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7PUR
 | | mouse Interleukin-12 subunit beta - p80 homodimer in space group P21 crystal form 2 | | Descriptor: | Interleukin-12 subunit beta, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Bloch, Y, Savvides, S.N. | | Deposit date: | 2021-09-30 | | Release date: | 2021-11-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Around she goes: the structure of mouse Interleukin-12 p80
To Be Published
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