8DOV
 
 | | Crystal structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in complex with Hemoglobin | | Descriptor: | GLYCEROL, Heme-binding protein Shr, Hemoglobin subunit alpha, ... | | Authors: | Macdonald, R, Mahoney, B.J, Cascio, D, Clubb, R.T. | | Deposit date: | 2022-07-14 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Shr receptor from Streptococcus pyogenes uses a cap and release mechanism to acquire heme-iron from human hemoglobin.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6NOU
 | | An scFv derived from ixekizumab | | Descriptor: | GLYCEROL, scFv derived from ixekizumab | | Authors: | Durbin, J.D, Clawson, D.K, Lu, F, Tian, Y, Lu, J, Atwell, S. | | Deposit date: | 2019-01-16 | | Release date: | 2019-06-19 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (1.914 Å) | | Cite: | Development of tibulizumab, a tetravalent bispecific antibody targeting BAFF and IL-17A for the treatment of autoimmune disease.
Mabs, 11, 2019
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6VSU
 | | Arginase from Arabidopsis thaliana in Complex with Ornithine | | Descriptor: | Arginase 1, mitochondrial, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sekula, B. | | Deposit date: | 2020-02-11 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Neighboring Subunit Is Engaged to Stabilize the Substrate in the Active Site of Plant Arginases.
Front Plant Sci, 11, 2020
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13PK
 | | TERNARY COMPLEX OF PHOSPHOGLYCERATE KINASE FROM TRYPANOSOMA BRUCEI | | Descriptor: | 3-PHOSPHOGLYCERATE KINASE, 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Bernstein, B.E, Michels, P.A.M, Hol, W.G.J. | | Deposit date: | 1996-11-23 | | Release date: | 1997-12-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Synergistic effects of substrate-induced conformational changes in phosphoglycerate kinase activation.
Nature, 385, 1997
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6FVL
 | | DNA polymerase sliding clamp from Escherichia coli with bound P7 peptide | | Descriptor: | Beta sliding clamp, GLYCEROL, P7 peptide, ... | | Authors: | Martiel, I, Andre, C, Olieric, V, Guichard, G, Burnouf, D. | | Deposit date: | 2018-03-04 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.975 Å) | | Cite: | Peptide Interactions on Bacterial Sliding Clamps.
Acs Infect Dis., 2019
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7TGP
 | | E176T/Y188G variant of the internal UBA Domain of HHR23A | | Descriptor: | UV excision repair protein RAD23 homolog A | | Authors: | Rothfuss, M, Bowler, B.E, McClelland, L.J, Sprang, S.R. | | Deposit date: | 2022-01-08 | | Release date: | 2023-04-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | High-Accuracy Prediction of Stabilizing Surface Mutations to the Three-Helix Bundle, UBA(1), with EmCAST.
J.Am.Chem.Soc., 145, 2023
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8EB0
 | | RNF216/E2-Ub/Ub transthiolation complex | | Descriptor: | E3 ubiquitin-protein ligase RNF216, SULFATE ION, Ubiquitin, ... | | Authors: | Cotton, T.R, Wang, X.S, Lechtenberg, B.C. | | Deposit date: | 2022-08-30 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | The unifying catalytic mechanism of the RING-between-RING E3 ubiquitin ligase family.
Nat Commun, 14, 2023
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8QWS
 | | Crystal structure of CotB2 variant V80L in complex with alendronate | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ... | | Authors: | Dimos, N, Himpich, S, Ringel, M, Driller, R, Major, D.T, Brueck, T, Loll, B. | | Deposit date: | 2023-10-20 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of CotB2 variant V80L in complex with alendronate
To Be Published
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6FS8
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7OM5
 | | Anti-EGFR nanobody EgB4 | | Descriptor: | GLYCEROL, Nanobody EgB4, ZINC ION | | Authors: | Zeronian, M.R, Janssen, B.J.C. | | Deposit date: | 2021-05-21 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Structural insights into the non-inhibitory mechanism of the anti-EGFR EgB4 nanobody.
Bmc Mol Cell Biol, 23, 2022
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6QB8
 | | Human CCT:mLST8 complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ... | | Authors: | Cuellar, J, Santiago, C, Ludlam, W.G, Bueno-Carrasco, M.T, Valpuesta, J.M, Willardson, B.M. | | Deposit date: | 2018-12-20 | | Release date: | 2019-07-03 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (3.97 Å) | | Cite: | Structural and functional analysis of the role of the chaperonin CCT in mTOR complex assembly.
Nat Commun, 10, 2019
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7A94
 | | SARS-CoV-2 Spike Glycoprotein with 1 ACE2 Bound | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | | Authors: | Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J. | | Deposit date: | 2020-09-01 | | Release date: | 2020-09-16 | | Last modified: | 2020-12-16 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
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6ZNP
 | | Crystal Structure of DUF1998 helicase MrfA bound to DNA | | Descriptor: | CITRIC ACID, Uncharacterized ATP-dependent helicase YprA, ZINC ION, ... | | Authors: | Roske, J.J, Liu, S, Loll, B, Neu, U, Wahl, M.C. | | Deposit date: | 2020-07-06 | | Release date: | 2020-11-25 | | Last modified: | 2021-01-20 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | A skipping rope translocation mechanism in a widespread family of DNA repair helicases.
Nucleic Acids Res., 49, 2021
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6NLA
 | | Crystal structure of de novo designed metal-controlled dimer of B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-zinc | | Descriptor: | CHLORIDE ION, GLYCEROL, Immunoglobulin G-binding protein G, ... | | Authors: | Maniaci, B, Stec, B, Huxford, T. | | Deposit date: | 2019-01-08 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Design of High-Affinity Metal-Controlled Protein Dimers.
Biochemistry, 58, 2019
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8QWR
 | | Crystal structure of CotB2 variant V80L | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Cyclooctat-9-en-7-ol synthase, ... | | Authors: | Dimos, N, Himpich, S, Ringel, M, Driller, R, Major, D.T, Brueck, T, Loll, B. | | Deposit date: | 2023-10-20 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of CotB2 variant V80L
To Be Published
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6DY3
 | | Caenorhabditis elegans N-acylethanolamine-hydrolyzing acid amidase (NAAA) ortholog | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, N-acylethanolamine-hydrolyzing acid amidase alpha-subunit, N-acylethanolamine-hydrolyzing acid amidase beta-subunit | | Authors: | Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B. | | Deposit date: | 2018-07-01 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5DJX
 | | Fc Heterodimer Design 2.9 L368M/K370E + E357A/S364G | | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | | Deposit date: | 2015-09-02 | | Release date: | 2016-03-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
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5DRW
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5LQF
 | | CDK1/CyclinB1/CKS2 in complex with NU6102 | | Descriptor: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ... | | Authors: | Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B.J, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E, Newell, D.R, Turner, D.M, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Endicott, J.A, Cano, C. | | Deposit date: | 2016-08-17 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
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6MO8
 | | N-terminal bromodomain of human BRD2 in complex with 4,4'-(quinoline-5,7-diyl)bis(3,5-dimethylisoxazole) inhibitor | | Descriptor: | 5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline, Bromodomain-containing protein 2, SULFATE ION | | Authors: | Lansdon, E.B, Newby, Z.E.R. | | Deposit date: | 2018-10-04 | | Release date: | 2019-01-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.
Bioorg. Med. Chem., 27, 2019
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6MVA
 | | LDHA structure in complex with inhibitor 14 | | Descriptor: | (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Eigenbrot, C.E, Ultsch, M, Wei, B. | | Deposit date: | 2018-10-24 | | Release date: | 2019-10-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structure-based Optimization of Potent, Cell-Active
Hydroxylactam Inhibitors of Lactate Dehydrogenase
To Be Published
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6XR3
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6MWH
 | | LasR LBD:BB0020 complex | | Descriptor: | 2-(3-bromophenoxy)-N-[(1S,2S,3R,5S)-2-hydroxybicyclo[3.1.0]hexan-3-yl]acetamide, Transcriptional regulator LasR | | Authors: | Bassler, B.L, Paczkowski, J.E. | | Deposit date: | 2018-10-29 | | Release date: | 2019-04-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An Autoinducer Analogue Reveals an Alternative Mode of Ligand Binding for the LasR Quorum-Sensing Receptor.
Acs Chem.Biol., 14, 2019
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8QLP
 | | CryoEM structure of the RNA/DNA bound SPARTA (BabAgo/TIR-APAZ) tetrameric complex | | Descriptor: | DNA (5'-D(*AP*CP*TP*AP*AP*TP*AP*GP*AP*TP*TP*AP*GP*AP*GP*CP*CP*GP*TP*C)-3'), MAGNESIUM ION, RNA (5'-R(*AP*UP*GP*AP*CP*GP*GP*CP*UP*CP*UP*AP*AP*UP*CP*UP*AP*UP*UP*AP*GP*U)-3'), ... | | Authors: | Finocchio, G, Koopal, B, Potocnik, A, Heijstek, C, Jinek, M, Swarts, D. | | Deposit date: | 2023-09-20 | | Release date: | 2024-01-31 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Target DNA-dependent activation mechanism of the prokaryotic immune system SPARTA.
Nucleic Acids Res., 52, 2024
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7OGL
 | | A cooperative PNPase-Hfq-RNA carrier complex facilitates bacterial riboregulation. apo-PNPase | | Descriptor: | Polyribonucleotide nucleotidyltransferase | | Authors: | Dendooven, T, Sinha, D, Roesoleva, A, Cameron, T.A, De Lay, N, Luisi, B.F, Bandyra, K. | | Deposit date: | 2021-05-06 | | Release date: | 2021-07-07 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | A cooperative PNPase-Hfq-RNA carrier complex facilitates bacterial riboregulation.
Mol.Cell, 81, 2021
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