8AWB
 
 | | Xylose Isomerase in 90% relative humidity environment | | Descriptor: | GLYCEROL, MAGNESIUM ION, MANGANESE (II) ION, ... | | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | | Deposit date: | 2022-08-29 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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6GWS
 | | Crystal structure of human PCNA in complex with three p15 peptides | | Descriptor: | PCNA-associated factor, Proliferating cell nuclear antigen | | Authors: | De March, M, Merino, N, Gonzalez-Magana, A, Romano-Moreno, M, Onesti, S, Blanco, F.J, De Biasio, A. | | Deposit date: | 2018-06-25 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | p15PAF binding to PCNA modulates the DNA sliding surface.
Nucleic Acids Res., 46, 2018
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8B2V
 | | Millisecond cryo-trapping by the spitrobot crystal plunger, CTX-M-14 E166A Ampicillin, 1 sec | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase | | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | | Deposit date: | 2022-09-14 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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3OIH
 | | Crystal Structure of the complex of xylanase-alpha-amylase inhibitor Protein (XAIP-I) with trehalose at 1.87 A resolution | | Descriptor: | ACETATE ION, Haementhin, PHOSPHATE ION, ... | | Authors: | Kumar, M, Kumar, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2010-08-19 | | Release date: | 2010-09-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal Structure of the complex of xylanase-alpha-amylase inhibitor Protein (XAIP-I) with trehalose at 1.87 A resolution
To be Published
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6GXO
 | | Cryo-EM structure of a rotated E. coli 70S ribosome in complex with RF3-GDPCP, RF1(GAQ) and P/E-tRNA (State IV) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Graf, M, Huter, P, Maracci, C, Peterek, M, Rodnina, M.V, Wilson, D.N. | | Deposit date: | 2018-06-27 | | Release date: | 2018-08-15 | | Last modified: | 2018-10-24 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Visualization of translation termination intermediates trapped by the Apidaecin 137 peptide during RF3-mediated recycling of RF1.
Nat Commun, 9, 2018
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7LKJ
 | | Crystal structure of Helicobacter pylori aminofutalosine deaminase (AFLDA) | | Descriptor: | 1,2-ETHANEDIOL, Aminofutalosine deaminase, FE (III) ION | | Authors: | Harijan, R.K, Feng, M, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2021-02-02 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Aminofutalosine Deaminase in the Menaquinone Pathway of Helicobacter pylori .
Biochemistry, 60, 2021
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5NQK
 | | human 199.16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2 | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | | Authors: | Exertier, C, Reiser, J.-B, Lantez, V, Chouquet, A, Bonneville, M, Saulquin, X, Housset, D. | | Deposit date: | 2017-04-20 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | human 199.16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2
To Be Published
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6GVI
 | | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine | | Descriptor: | 3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | | Deposit date: | 2018-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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3OQN
 | | Structure of ccpa-hpr-ser46-p-gntr-down cre | | Descriptor: | 5'-D(*AP*TP*GP*GP*TP*AP*CP*CP*GP*CP*TP*TP*TP*CP*AP*A)-3', 5'-D(*TP*TP*GP*AP*AP*AP*GP*CP*GP*GP*TP*AP*CP*CP*AP*T)-3', Catabolite control protein A, ... | | Authors: | Schumacher, M.A, Sprehe, M, Bartholomae, M, Hillen, W, Brennan, R.G. | | Deposit date: | 2010-09-03 | | Release date: | 2010-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structures of carbon catabolite protein A-(HPr-Ser46-P) bound to diverse catabolite response element sites reveal the basis for high-affinity binding to degenerate DNA operators.
Nucleic Acids Res., 39, 2011
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5C0P
 | | The crystal structure of endo-arabinase from Bacteroides thetaiotaomicron VPI-5482 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Endo-arabinase, ... | | Authors: | Tan, K, Cuff, M, Joachimiak, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-06-12 | | Release date: | 2015-07-01 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.532 Å) | | Cite: | The crystal structure of endo-arabinase from Bacteroides thetaiotaomicron VPI-5482
To Be Published
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5NGQ
 | | Bicyclic antimicrobial peptides | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, DLS-PRO-ALD-CYS-TYD-ALA-CYD-LYS-ALA, ... | | Authors: | Di Bonaventura, I, Jin, X, Visini, R, Michaud, G, Robadey, M, Koehler, T, van Delden, C, Stocker, A, Darbre, T, Reymond, J.-L. | | Deposit date: | 2017-03-20 | | Release date: | 2017-08-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms.
Chem Sci, 8, 2017
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6RMJ
 | | Crystal structure of human NGR-TNF | | Descriptor: | Tumor necrosis factor | | Authors: | Degano, M, Garau, G. | | Deposit date: | 2019-05-07 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Mechanism of Action of the Tumor Vessel Targeting Agent NGR-hTNF: Role of Both NGR Peptide and hTNF in Cell Binding and Signaling.
Int J Mol Sci, 20, 2019
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7MPB
 | | SARS Coronavirus-2 Main Protease 3CL-pro binding Ascorbate | | Descriptor: | 3C-like proteinase, ASCORBIC ACID, TRIFLUOROETHANOL | | Authors: | Pandey, S, Malla, T.N, Stojkovic, E.A, Schmidt, M. | | Deposit date: | 2021-05-04 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Vitamin C inhibits SARS coronavirus-2 main protease essential for viral replication
Biorxiv, 2021
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4L1J
 | | Three dimensional structure of mutant D143A of human HD domain-containing protein 2, Northeast Structural Genomics Consortium (NESG) Target HR6723 | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, HD domain-containing protein 2, ... | | Authors: | Kuzin, A, Su, M, Yakunin, A, Beloglazova, O, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Brown, G, Flick, R, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-06-03 | | Release date: | 2013-06-19 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.824 Å) | | Cite: | Three dimensional structure of mutant D143A of human HD
domain-containing protein 2, Northeast Structural Genomics Consortium (NESG) Target HR6723
To be Published
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1AXM
 | | HEPARIN-LINKED BIOLOGICALLY-ACTIVE DIMER OF FIBROBLAST GROWTH FACTOR | | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ACIDIC FIBROBLAST GROWTH FACTOR | | Authors: | DiGabriele, A.D, Lax, I, Chen, D.I, Svahn, C.M, Jaye, M, Schlessinger, J, Hendrickson, W.A. | | Deposit date: | 1997-10-16 | | Release date: | 1998-04-22 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of a heparin-linked biologically active dimer of fibroblast growth factor.
Nature, 393, 1998
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1ZUV
 | | 24 NMR structures of AcAMP2-Like Peptide with Phenylalanine 18 mutated to Tryptophan | | Descriptor: | AMARANTHUS CAUDATUS ANTIMICROBIAL PEPTIDE 2 | | Authors: | Chavez, M.I, Andreu, C, Vidal, P, Freire, F, Aboitiz, N, Groves, P, Asensio, J.L, Asensio, G, Muraki, M, Canada, F.J, Jimenez-Barbero, J. | | Deposit date: | 2005-06-01 | | Release date: | 2005-12-06 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | On the Importance of Carbohydrate-Aromatic Interactions for the Molecular Recognition of Oligosaccharides by Proteins: NMR Studies of the Structure and Binding Affinity of AcAMP2-like Peptides with Non-Natural Naphthyl and Fluoroaromatic Residues
Chemistry, 11, 2005
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6H6T
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8AA7
 | | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme coordinated fragment | | Descriptor: | 2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, Cytochrome P450 protein, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | | Deposit date: | 2022-06-30 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme coordinated fragment
To Be Published
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8ABO
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8ASC
 | | Ku70/80 binds to the Ku-binding motif of PAXX | | Descriptor: | DNA (5'-D(P*CP*GP*GP*AP*TP*CP*GP*AP*GP*GP*GP*CP*CP*CP*GP*AP*TP*AP*T)-3'), DNA (5'-D(P*GP*GP*GP*CP*CP*CP*TP*CP*GP*AP*TP*CP*CP*G)-3'), Protein PAXX, ... | | Authors: | Seif El Dahan, M, Ropars, V, Charbonnier, J.B. | | Deposit date: | 2022-08-19 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
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4L53
 | | Crystal Structure of (1R,4R)-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexan-1-ol bound to TAK1-TAB1 | | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, ... | | Authors: | Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M. | | Deposit date: | 2013-06-10 | | Release date: | 2013-07-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: Optimization of kinase selectivity and pharmacokinetics.
Bioorg.Med.Chem.Lett., 23, 2013
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1V0E
 | | Endosialidase of Bacteriophage K1F | | Descriptor: | ENDO-ALPHA-SIALIDASE, PHOSPHATE ION | | Authors: | Stummeyer, K, Dickmanns, A, Muehlenhoff, M, Gerady-Schahn, R, Ficner, R. | | Deposit date: | 2004-03-28 | | Release date: | 2004-12-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of the Polysialic Acid-Degrading Endosialidase of Bacteriophage K1F
Nat.Struct.Mol.Biol., 12, 2005
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3OZH
 | | Crystal Structure of Beta-Lactamase/D-alanine Carboxypeptidase from Yersinia pestis | | Descriptor: | beta-lactamase/D-alanine carboxypeptidase | | Authors: | Kim, Y, Zhou, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-09-24 | | Release date: | 2010-10-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.907 Å) | | Cite: | Crystal Structure of Beta-Lactamase/D-alanine Carboxypeptidase from Yersinia pestis
To be Published
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4L7G
 | | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE1) | | Descriptor: | (3aS,7aR)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4H-pyrano[4,3-d][1,3]oxazol-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE | | Authors: | Huestis, M.P, Liu, W, Volgraf, M, Purkey, H, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M. | | Deposit date: | 2013-06-13 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
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3P26
 | | Crystal structure of S. cerevisiae Hbs1 protein (apo-form), a translational GTPase involved in RNA quality control pathways and interacting with Dom34/Pelota | | Descriptor: | Elongation factor 1 alpha-like protein | | Authors: | van den Elzen, A, Henri, J, Lazar, N, Gas, M.E, Durand, D, Lacroute, F, Nicaise, M, van Tilbeurgh, H, Sraphin, B, Graille, M, Paris-Sud Yeast Structural Genomics (YSG) | | Deposit date: | 2010-10-01 | | Release date: | 2010-11-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dissection of Dom34-Hbs1 reveals independent functions in two RNA quality control pathways.
Nat.Struct.Mol.Biol., 17, 2010
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