6N3E
| Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to U2AF ligand motif 4 | Descriptor: | FORMIC ACID, GLYCEROL, HIV Tat-specific factor 1, ... | Authors: | Loerch, S, Jenkins, J.L, Kielkopf, C.L. | Deposit date: | 2018-11-15 | Release date: | 2019-01-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface. J. Biol. Chem., 294, 2019
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6N3R
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6NRI
| Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT83 | Descriptor: | (2Z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, CHLORIDE ION, CITRIC ACID, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2019-01-23 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J.Med.Chem., 62, 2019
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6N44
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6MT5
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6NFA
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6MNG
| 4738 TCR bound to IAb Padi4 | Descriptor: | 4738 TCR alpha chain, 4738 TCR beta chain, H-2 class II histocompatibility antigen, ... | Authors: | Blevins, S.J, Stadinski, B.D, Huseby, E.S. | Deposit date: | 2018-10-01 | Release date: | 2019-07-03 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.662 Å) | Cite: | A temporal thymic selection switch and ligand binding kinetics constrain neonatal Foxp3+Tregcell development. Nat.Immunol., 20, 2019
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6N3J
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6N3D
| Structure of HIV Tat-specific factor 1 U2AF Homology Motif (APO-State) | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Loerch, S, Jenkins, J.L, Kielkopf, C.L. | Deposit date: | 2018-11-15 | Release date: | 2019-01-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface. J. Biol. Chem., 294, 2019
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6NR6
| Crystal Structure of Staphylococcus pseudintermedius SbnI in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional transcriptional regulator/O-phospho-L-serine synthase SbnI, MAGNESIUM ION | Authors: | Verstraete, M.M, Morales, L.D, Kobylarz, M.J, Loutet, S.A, Laakso, H.A, Heinrichs, D.E, Murphy, M.E.P. | Deposit date: | 2019-01-22 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The heme-sensitive regulator SbnI has a bifunctional role in staphyloferrin B production by Staphylococcus aureus . J.Biol.Chem., 294, 2019
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6NLI
| 1.90 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 11) | Descriptor: | 4-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | Deposit date: | 2019-01-08 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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6NRE
| Monomeric Lipocalin Can F 6 | Descriptor: | Lipocalin-Can f 6 allergen | Authors: | Clayton G, M, Kappler J, W, Chan, S. | Deposit date: | 2019-01-23 | Release date: | 2019-09-25 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural characteristics of lipocalin allergens: Crystal structure of the immunogenic dog allergen Can f 6. Plos One, 14, 2019
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6NRH
| Crystal Structure of human PARP-1 ART domain bound inhibitor UTT63 | Descriptor: | 3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2019-01-23 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J.Med.Chem., 62, 2019
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6NLM
| 1.90 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 15) | Descriptor: | 4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | Deposit date: | 2019-01-08 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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6NNC
| Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pemetrexed | Descriptor: | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | Deposit date: | 2019-01-14 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates. Acta Crystallogr D Struct Biol, 75, 2019
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6NRJ
| Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT93 | Descriptor: | (2Z)-2-[(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2019-01-23 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J.Med.Chem., 62, 2019
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6NVF
| Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 8 | Descriptor: | (4-{[(1R,2R)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid, (4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid, ATP-dependent dethiobiotin synthetase BioD, ... | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-02-05 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.989 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 8 To Be Published
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7D5A
| Crystal Structure of BACE1 in complex with N-{3-[(9S)-7-amino-2,2-difluoro-9-(prop-1-yn-1-yl)-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2020-09-25 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2. J.Med.Chem., 64, 2021
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7BHE
| DARPin_D5/Her3 domain 4 complex, monoclinic crystals | Descriptor: | ACETATE ION, DARPin_D5, GLYCEROL, ... | Authors: | Mittl, P.R.E, Radom, F, Pluckthun, A. | Deposit date: | 2021-01-11 | Release date: | 2021-11-24 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.297 Å) | Cite: | Crystal structures of HER3 extracellular domain 4 in complex with the designed ankyrin-repeat protein D5. Acta Crystallogr.,Sect.F, 77, 2021
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7BHF
| DARPin_D5/Her3 domain 4 complex, orthorhombic crystals | Descriptor: | ACETATE ION, DARPin_D5, Isoform 4 of Receptor tyrosine-protein kinase erbB-3 | Authors: | Mittl, P.R.E, Radom, F, Pluckthun, A. | Deposit date: | 2021-01-11 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Crystal structures of HER3 extracellular domain 4 in complex with the designed ankyrin-repeat protein D5. Acta Crystallogr.,Sect.F, 77, 2021
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7DV4
| Crystal structure of anti-CTLA-4 VH domain in complex with human CTLA-4 | Descriptor: | 1,2-ETHANEDIOL, 4003-1(VH), Cytotoxic T-lymphocyte protein 4 | Authors: | Li, H, Gan, X, He, Y. | Deposit date: | 2021-01-12 | Release date: | 2022-01-12 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | An anti-CTLA-4 heavy chain-only antibody with enhanced T reg depletion shows excellent preclinical efficacy and safety profile. Proc.Natl.Acad.Sci.USA, 119, 2022
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3WS3
| Crystal Structure of H-2D in complex with an insulin derived peptide | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Kumar, P.R, Mukherjee, G, Samanta, D, DiLorenzo, T.P, Almo, S.C, Immune Function Network, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-02-28 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.335 Å) | Cite: | Compensatory mechanisms allow undersized anchor-deficient class I MHC ligands to mediate pathogenic autoreactive T cell responses J. Immunol., 193, 2014
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4MB1
| The Structure of MalL mutant enzyme G202P from Bacillus subtilus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Oligo-1,6-glucosidase 1 | Authors: | Hobbs, J.K, Jiao, W, Easter, A.D, Parker, E.J, Schipper, L.A, Arcus, V.L. | Deposit date: | 2013-08-19 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Change in heat capacity for enzyme catalysis determines temperature dependence of enzyme catalyzed rates. Acs Chem.Biol., 8, 2013
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4MAZ
| The Structure of MalL mutant enzyme V200S from Bacillus subtilus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | Hobbs, J.K, Jiao, W, Easter, A.D, Parker, E.J, Schipper, L.A, Arcus, V.L. | Deposit date: | 2013-08-18 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Change in heat capacity for enzyme catalysis determines temperature dependence of enzyme catalyzed rates. Acs Chem.Biol., 8, 2013
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4M97
| Calcium-Dependent Protein Kinase 1 from Neospora caninum | Descriptor: | Calmodulin-like domain protein kinase isoenzyme gamma, related | Authors: | Merritt, E.A. | Deposit date: | 2013-08-14 | Release date: | 2013-10-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy. Plos One, 9, 2014
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