3UGS
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![BU of 3ugs by Molmil](/molmil-images/mine/3ugs) | Crystal structure of a probable undecaprenyl diphosphate synthase (uppS) from Campylobacter jejuni | Descriptor: | (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate, Undecaprenyl pyrophosphate synthase | Authors: | Nocek, B, Gu, M, Grimshaw, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-11-02 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.457 Å) | Cite: | Crystal structure of a probable undecaprenyl diphosphate synthase (uppS) from Campylobacter jejuni TO BE PUBLISHED
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4FDI
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![BU of 4fdi by Molmil](/molmil-images/mine/4fdi) | The molecular basis of mucopolysaccharidosis IV A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CITRIC ACID, ... | Authors: | Rivera-Colon, Y, Garman, S.C. | Deposit date: | 2012-05-28 | Release date: | 2012-09-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Structure of Human GALNS Reveals the Molecular Basis for Mucopolysaccharidosis IV A. J.Mol.Biol., 423, 2012
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1I8L
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![BU of 1i8l by Molmil](/molmil-images/mine/1i8l) | HUMAN B7-1/CTLA-4 CO-STIMULATORY COMPLEX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTOTOXIC T-LYMPHOCYTE PROTEIN 4, T LYMPHOCYTE ACTIVATION ANTIGEN CD80, ... | Authors: | Stamper, C.C, Somers, W.S, Mosyak, L. | Deposit date: | 2001-03-14 | Release date: | 2001-04-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the B7-1/CTLA-4 complex that inhibits human immune responses. Nature, 410, 2001
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4FE7
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![BU of 4fe7 by Molmil](/molmil-images/mine/4fe7) | structure of xylose-binding transcription activator xylR | Descriptor: | Xylose operon regulatory protein, alpha-D-xylopyranose | Authors: | Ni, L, Schumacher, M.A. | Deposit date: | 2012-05-29 | Release date: | 2012-12-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of the Escherichia coli transcription activator and regulator of diauxie, XylR: an AraC DNA-binding family member with a LacI/GalR ligand-binding domain. Nucleic Acids Res., 41, 2013
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8F0F
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![BU of 8f0f by Molmil](/molmil-images/mine/8f0f) | HIV-1 wild type protease with GRL-110-19A, a chloroacetamide derivative based on Darunavir as P2' group | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | Deposit date: | 2022-11-02 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Evaluation of darunavir-derived HIV-1 protease inhibitors incorporating P2' amide-derivatives: Synthesis, biological evaluation and structural studies. Bioorg.Med.Chem.Lett., 83, 2023
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3UTB
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![BU of 3utb by Molmil](/molmil-images/mine/3utb) | Crystal Structure of Nucleosome Core Particle Assembled with the 146b Alpha-Satellite Sequence (NCP146b) | Descriptor: | 146-mer DNA, Histone H2A, Histone H2B 1.1, ... | Authors: | Chua, E.Y.D, Vasudevan, D, Davey, G.E, Wu, B, Davey, C.A. | Deposit date: | 2011-11-25 | Release date: | 2012-04-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The mechanics behind DNA sequence-dependent properties of the nucleosome Nucleic Acids Res., 40, 2012
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1I92
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![BU of 1i92 by Molmil](/molmil-images/mine/1i92) | STRUCTURAL BASIS OF THE NHERF PDZ1-CFTR INTERACTION | Descriptor: | CHLORIDE ION, NA+/H+ EXCHANGE REGULATORY CO-FACTOR | Authors: | Karthikeyan, S, Leung, T, Ladias, J.A.A. | Deposit date: | 2001-03-16 | Release date: | 2001-06-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of the Na+/H+ exchanger regulatory factor PDZ1 interaction with the carboxyl-terminal region of the cystic fibrosis transmembrane conductance regulator. J.Biol.Chem., 276, 2001
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3UHL
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![BU of 3uhl by Molmil](/molmil-images/mine/3uhl) | |
4FF5
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![BU of 4ff5 by Molmil](/molmil-images/mine/4ff5) | |
3UTS
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![BU of 3uts by Molmil](/molmil-images/mine/3uts) | 1E6-A*0201-ALWGPDPAAA Complex, Monoclinic | Descriptor: | 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, Beta-2-microglobulin, ... | Authors: | Rizkallah, P.J, Cole, D.K, Sewell, A.K, Bulek, A.M. | Deposit date: | 2011-11-26 | Release date: | 2012-01-25 | Last modified: | 2012-03-07 | Method: | X-RAY DIFFRACTION (2.712 Å) | Cite: | Structural basis for the killing of human beta cells by CD8(+) T cells in type 1 diabetes. Nat.Immunol., 13, 2012
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4FFN
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![BU of 4ffn by Molmil](/molmil-images/mine/4ffn) | PylC in complex with D-ornithine and AMPPNP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-ORNITHINE, MAGNESIUM ION, ... | Authors: | Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M. | Deposit date: | 2012-06-01 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution. J.Mol.Biol., 424, 2012
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4FFS
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![BU of 4ffs by Molmil](/molmil-images/mine/4ffs) | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Helicobacter pylori with butyl-thio-DADMe-Immucillin-A | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, CHLORIDE ION, MTA/SAH nucleosidase | Authors: | Haapalainen, A.M, Rinaldo-Matthis, A, Brown, R.L, Norris, G.E, Almo, S.C, Schramm, V.L. | Deposit date: | 2012-06-01 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Picomolar Transition State Analogue Inhibitor of MTAN as a Specific Antibiotic for Helicobacter pylori. Biochemistry, 51, 2012
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4FFV
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![BU of 4ffv by Molmil](/molmil-images/mine/4ffv) | Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab | Descriptor: | 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4 | Authors: | Wang, Z, Sudom, A, Walker, N.P, Min, X. | Deposit date: | 2012-06-01 | Release date: | 2012-12-12 | Last modified: | 2021-05-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition To be published
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4FGA
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![BU of 4fga by Molmil](/molmil-images/mine/4fga) | Design of peptide inhibitors of group II phospholipase A2: Crystal structure of the complex of phospholipsae A2 with a designed tripeptide, Ala- Tyr- Lys at 2.3 A resolution | Descriptor: | AYK, Phospholipase A2 VRV-PL-VIIIa | Authors: | Shukla, P.K, Sinha, M, Dey, S, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2012-06-04 | Release date: | 2012-06-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design of peptide inhibitors of group II phospholipase A2: Crystal structure of the complex of phospholipsae A2 with a designed tripeptide, Ala- Tyr- Lys at 2.3 A resolution To be Published
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3UJF
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![BU of 3ujf by Molmil](/molmil-images/mine/3ujf) | Asymmetric complex of human neuron specific enolase-4-PGA/PEP | Descriptor: | 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, MAGNESIUM ION, ... | Authors: | Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L. | Deposit date: | 2011-11-07 | Release date: | 2012-08-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity. J.Inorg.Biochem., 111, 2012
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6XO2
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![BU of 6xo2 by Molmil](/molmil-images/mine/6xo2) | Structural Characterization of Beta Cyanoalanine Synthase from Tetranychus Urticae (two-spotted spider mite) | Descriptor: | ACETATE ION, Beta-cyanoalanine synthase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Daneshian, L, Schlachter, C, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M. | Deposit date: | 2020-07-06 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and functional characterization of beta-cyanoalanine synthase from Tetranychus urticae. Insect Biochem.Mol.Biol., 142, 2022
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4FH5
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![BU of 4fh5 by Molmil](/molmil-images/mine/4fh5) | |
4FHK
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![BU of 4fhk by Molmil](/molmil-images/mine/4fhk) | Crystal Structure of PI3K-gamma in Complex with Imidazopyridazine 19e | Descriptor: | 3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Shaffer, P.L, Tang, J, Yakowec, P. | Deposit date: | 2012-06-06 | Release date: | 2013-04-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery and optimization of potent and selective imidazopyridine and imidazopyridazine mTOR inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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8EKN
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![BU of 8ekn by Molmil](/molmil-images/mine/8ekn) | Co-crystal structure of Chaetomium glucosidase with compound 15 | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-methyl-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2022-09-21 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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4FIF
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![BU of 4fif by Molmil](/molmil-images/mine/4fif) | Catalytic domain of human PAK4 with RPKPLVDP peptide | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase PAK 4 | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2012-06-08 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate. Proc.Natl.Acad.Sci.USA, 109, 2012
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8EQ7
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![BU of 8eq7 by Molmil](/molmil-images/mine/8eq7) | Co-crystal structure of Chaetomium glucosidase with compound 20 | Descriptor: | (2R,3R,4R,5S)-1-[(3-{[3-bromo-5-(methanesulfonyl)anilino]methyl}phenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2022-10-07 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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3UPY
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![BU of 3upy by Molmil](/molmil-images/mine/3upy) | Crystal structure of the Brucella abortus enzyme catalyzing the first committed step of the methylerythritol 4-phosphate pathway. | Descriptor: | 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MAGNESIUM ION, Oxidoreductase | Authors: | Calisto, B.M, Perez-Gil, J, Fita, I, Rodriguez-Concepcion, M. | Deposit date: | 2011-11-18 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Brucella abortus deoxyxylulose-5-phosphate reductoisomerase-like (DRL) enzyme involved in isoprenoid biosynthesis. J.Biol.Chem., 287, 2012
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3ULA
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![BU of 3ula by Molmil](/molmil-images/mine/3ula) | Crystal structure of the TV3 mutant F63W-MD-2-Eritoran complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE, Lymphocyte antigen 96, ... | Authors: | Kim, H.J, Cheong, H.K, Jeon, Y.H. | Deposit date: | 2011-11-10 | Release date: | 2012-04-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structure-Based Rational Design of a Toll-like Receptor 4 (TLR4) Decoy Receptor with High Binding Affinity for a Target Protein. Plos One, 7, 2012
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4Z58
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![BU of 4z58 by Molmil](/molmil-images/mine/4z58) | HipB-O3 20mer complex | Descriptor: | Antitoxin HipB, DNA (5'-D(*TP*TP*AP*TP*CP*CP*GP*CP*TP*CP*TP*AP*CP*GP*GP*GP*AP*TP*AP*A)-3') | Authors: | Min, J, Brennan, R.G, Schumacher, M.A. | Deposit date: | 2015-04-02 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular mechanism on hipBA gene regulation. To be published
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3UM7
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![BU of 3um7 by Molmil](/molmil-images/mine/3um7) | |