5L4Y
 
 | | Crystal structure of FimH lectin domain in complex with 4-Fluoro-Heptylmannoside | | Descriptor: | Protein FimH, heptyl 4-deoxy-4-fluoro-alpha-D-mannopyranoside | | Authors: | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B. | | Deposit date: | 2016-05-26 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
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7QDR
 | | Apo human SKI complex in the closed state | | Descriptor: | Helicase SKI2W, Tetratricopeptide repeat protein 37, WD repeat-containing protein 61 | | Authors: | Koegel, A, Keidel, A, Bonneau, F, Schaefer, I.B, Conti, E. | | Deposit date: | 2021-11-29 | | Release date: | 2022-02-02 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | The human SKI complex regulates channeling of ribosome-bound RNA to the exosome via an intrinsic gatekeeping mechanism.
Mol.Cell, 82, 2022
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7QDS
 | | Apo human SKI complex in the open state | | Descriptor: | Helicase SKI2W, Tetratricopeptide repeat protein 37, WD repeat-containing protein 61 | | Authors: | Koegel, A, Keidel, A, Bonneau, A, Schaefer, I.B, Conti, E. | | Deposit date: | 2021-11-30 | | Release date: | 2022-02-02 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | The human SKI complex regulates channeling of ribosome-bound RNA to the exosome via an intrinsic gatekeeping mechanism.
Mol.Cell, 82, 2022
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5VGZ
 | | Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle | | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ... | | Authors: | Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y. | | Deposit date: | 2017-04-12 | | Release date: | 2017-08-23 | | Last modified: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.
Mol. Cell, 67, 2017
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7QGP
 | | STK10 (LOK) bound to Macrocycle CKJB51 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(4-chloranyl-2-methyl-phenyl)methyl]-3-(7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaen-5-yl)urea, CHLORIDE ION, ... | | Authors: | Berger, B.-T, Schroeder, M, Kraemer, A, Schwalm, M.P, Kurz, C.G, Amrhein, J.A, Hanke, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-12-09 | | Release date: | 2022-01-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | STK10 bound to CKJB51
To Be Published
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5ITD
 | | Crystal structure of PI3K alpha with PI3K delta inhibitor | | Descriptor: | 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Knapp, M.S, Elling, R.A. | | Deposit date: | 2016-03-16 | | Release date: | 2016-09-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors.
Acs Med.Chem.Lett., 7, 2016
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6P04
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5I34
 | | Adenylosuccinate synthetase from Cryptococcus neoformans complexed with GDP and IMP | | Descriptor: | Adenylosuccinate synthetase, GUANOSINE-5'-DIPHOSPHATE, INOSINIC ACID | | Authors: | Blundell, R.D, Williams, S.J, Ericsson, D, Fraser, J.A, Kobe, B. | | Deposit date: | 2016-02-09 | | Release date: | 2016-08-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Disruption of de Novo Adenosine Triphosphate (ATP) Biosynthesis Abolishes Virulence in Cryptococcus neoformans.
Acs Infect Dis., 2, 2016
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6YPX
 | | Human histidine triad nucleotide-binding protein 2 (hHINT2) refined to 2.11 A in C2221 space group | | Descriptor: | CACODYLATE ION, GLYCEROL, Histidine triad nucleotide-binding protein 2, ... | | Authors: | Dolot, R.D, Wlodarczyk, A, Bujacz, G.D, Nawrot, B.C. | | Deposit date: | 2020-04-16 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A.
Biochim Biophys Acta Gen Subj, 1865, 2021
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7QID
 | | tentative model of the human insulin receptor ectodomain bound by three insulin | | Descriptor: | Insulin, Insulin receptor, Isoform Short of Insulin receptor | | Authors: | Gutman, T, Schaefer, I.B, Poojari, C.S, Vattulainen, I, Strauss, M, Coskun, U. | | Deposit date: | 2021-12-14 | | Release date: | 2022-02-02 | | Method: | ELECTRON MICROSCOPY (5 Å) | | Cite: | Cryo-EM structure of the complete and ligand-saturated insulin receptor ectodomain
J Cell Biol, 219, 2020
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6AQ4
 | | CRYSTAL STRUCTURE OF PROTEIN CiTE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, PYRUVATE AND CITRAMALYL-COA | | Descriptor: | CHLORIDE ION, Citramalyl-CoA, Citrate lyase subunit beta-like protein, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | | Deposit date: | 2017-08-18 | | Release date: | 2018-08-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.825 Å) | | Cite: | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
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8RUM
 | | Structure of Oceanobacillus iheyensis group II intron in the presence of Li+, Mg2+, and intronistat B | | Descriptor: | Domains 1-5, MAGNESIUM ION, ~{N}-(2-pyrrolidin-1-ylethyl)-2-[3,4,5-tris(oxidanyl)phenyl]carbonyl-1-benzofuran-5-carboxamide | | Authors: | Silvestri, I, Marcia, M. | | Deposit date: | 2024-01-31 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (3.62 Å) | | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
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5I86
 | | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174 | | Descriptor: | (4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ... | | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | | Deposit date: | 2016-02-18 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
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7QDY
 | | RNA-bound human SKI complex | | Descriptor: | Helicase SKI2W, RNA (5'-R(P*UP*UP*UP*UP*UP*U)-3'), Tetratricopeptide repeat protein 37, ... | | Authors: | Koegel, A, Keidel, A, Bonneau, F, Schaefer, I.B, Conti, E. | | Deposit date: | 2021-12-01 | | Release date: | 2022-02-09 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The human SKI complex regulates channeling of ribosome-bound RNA to the exosome via an intrinsic gatekeeping mechanism.
Mol.Cell, 82, 2022
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6YQM
 | | Human histidine triad nucleotide-binding protein 1 (hHINT1) complexed with dGMP and refined to 1.02 A | | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, Histidine triad nucleotide-binding protein 1 | | Authors: | Dolot, R.D, Seda, A, Nawrot, B.C. | | Deposit date: | 2020-04-17 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A.
Biochim Biophys Acta Gen Subj, 1865, 2021
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5IBR
 | | Caspase 3 V266K | | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3 | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-22 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5ID9
 | | Crystal structure of equine serum albumin in complex with phosphorodithioate derivative of myristoyl cyclic phosphatidic acid (cPA) | | Descriptor: | (4S)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate, FORMIC ACID, MALONATE ION, ... | | Authors: | Sekula, B, Bujacz, A, Rytczak, P, Bujacz, G. | | Deposit date: | 2016-02-24 | | Release date: | 2016-05-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structural evidence of the species-dependent albumin binding of the modified cyclic phosphatidic acid with cytotoxic properties.
Biosci.Rep., 36, 2016
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6MAC
 | | Ternary structure of GDF11 bound to ActRIIB-ECD and Alk5-ECD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2B, Growth/differentiation factor 11, ... | | Authors: | Goebel, E.J, Thompson, T.B. | | Deposit date: | 2018-08-27 | | Release date: | 2019-07-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structural characterization of an activin class ternary receptor complex reveals a third paradigm for receptor specificity.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5IFH
 | | Crystal structure of the BCR Fab fragment from subset #2 case P11475 | | Descriptor: | Heavy chain of the Fab fragment from BCR derived from the P11475 CLL clone, Light chain of the Fab fragment from BCR derived from the P11475 CLL clone | | Authors: | Minici, C, Degano, M. | | Deposit date: | 2016-02-26 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.293 Å) | | Cite: | Distinct homotypic B-cell receptor interactions shape the outcome of chronic lymphocytic leukaemia.
Nat Commun, 8, 2017
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8HYB
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6YPR
 | | Human histidine triad nucleotide-binding protein 2 (hHINT2) refined to 1.26 A in H32 space group | | Descriptor: | GLYCEROL, Histidine triad nucleotide-binding protein 2, mitochondrial | | Authors: | Dolot, R.D, Wlodarczyk, A, Bujacz, G.D, Nawrot, B.C. | | Deposit date: | 2020-04-16 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A.
Biochim Biophys Acta Gen Subj, 1865, 2021
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6PAS
 | | Inactive State of Manduca sexta soluble guanylate cyclase | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Soluble guanylyl cyclase alpha-1 subunit, Soluble guanylyl cyclase beta-1 subunit | | Authors: | Yokom, A.L, Horst, B.G, Marletta, M.A, Hurley, J.H. | | Deposit date: | 2019-06-11 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (5.1 Å) | | Cite: | Allosteric activation of the nitric oxide receptor soluble guanylate cyclase mapped by cryo-electron microscopy.
Elife, 8, 2019
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6AZX
 | | Crystal structure of the neutralizing anti-circumsporozoite protein 663 antibody | | Descriptor: | 663 antibody, heavy chain, light chain | | Authors: | Scally, S.W, Bosch, A, Triller, G, Wardemann, H, Julien, J.P. | | Deposit date: | 2017-09-13 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Natural Parasite Exposure Induces Protective Human Anti-Malarial Antibodies.
Immunity, 47, 2017
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1BMK
 | | THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB218655 | | Descriptor: | 4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE, PROTEIN (MAP KINASE P38) | | Authors: | Wang, Z, Canagarajah, B, Boehm, J.C, Kassis, S, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J. | | Deposit date: | 1998-07-23 | | Release date: | 1999-07-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
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5F13
 | | Structure of Mn bound DUF89 from Saccharomyces cerevisiae | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Nocek, B, Skarina, T, Joachimiak, A, Savchenko, A, Yakunin, A. | | Deposit date: | 2015-11-30 | | Release date: | 2016-03-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.393 Å) | | Cite: | A family of metal-dependent phosphatases implicated in metabolite damage-control.
Nat.Chem.Biol., 12, 2016
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