3M8D
 
 | | Crystal structure of spin-labeled BtuB V10R1 with bound calcium and cyanocobalamin | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CALCIUM ION, CYANOCOBALAMIN, ... | | Authors: | Freed, D.M, Horanyi, P.S, Wiener, M.C, Cafiso, D.S. | | Deposit date: | 2010-03-17 | | Release date: | 2010-09-15 | | Last modified: | 2021-08-18 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Conformational exchange in a membrane transport protein is altered in protein crystals.
Biophys.J., 99, 2010
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3M8P
 | | HIV-1 RT with NNRTI TMC-125 | | Descriptor: | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, Reverse transcriptase/ribonuclease H, p51 RT | | Authors: | Harris, S.F, Villasenor, A. | | Deposit date: | 2010-03-18 | | Release date: | 2010-05-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses.
Bioorg.Med.Chem.Lett., 20, 2010
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6MCY
 | | Crystal structure of mouse Bak | | Descriptor: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, FORMIC ACID | | Authors: | Brouwer, J.M, Czabotar, P.E, Colman, P.M. | | Deposit date: | 2018-09-03 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.748 Å) | | Cite: | A small molecule interacts with VDAC2 to block mouse BAK-driven apoptosis.
Nat.Chem.Biol., 15, 2019
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4D2E
 | | Crystal structure of an integral membrane kinase - v2.3 | | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, CITRATE ANION, ... | | Authors: | Li, D, Boland, C, Caffrey, M. | | Deposit date: | 2014-05-09 | | Release date: | 2014-07-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Cell-Free Expression and in Meso Crystallisation of an Integral Membrane Kinase for Structure Determination.
Cell.Mol.Life Sci., 71, 2014
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4D35
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- fluorophenyl)propan-1-amine | | Descriptor: | 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-10-20 | | Release date: | 2014-12-24 | | Last modified: | 2015-03-04 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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6S1A
 | | Ligand binding domain of the P. putida receptor PcaY_PP | | Descriptor: | Aromatic acid chemoreceptor, SULFATE ION | | Authors: | Gavira, J.A, Matilla, M.A, Fernandez, M, Krell, T. | | Deposit date: | 2019-06-18 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.112 Å) | | Cite: | The structural basis for signal promiscuity in a bacterial chemoreceptor.
Febs J., 288, 2021
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3I6D
 | | Crystal structure of PPO from bacillus subtilis with AF | | Descriptor: | 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, ... | | Authors: | Shen, Y. | | Deposit date: | 2009-07-06 | | Release date: | 2009-12-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural insight into unique properties of protoporphyrinogen oxidase from Bacillus subtilis
J.Struct.Biol., 170, 2010
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6LYS
 | | Structure of the BAM complex | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Xiao, L, Huang, Y. | | Deposit date: | 2020-02-15 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structures of the beta-barrel assembly machine recognizing outer membrane protein substrates.
Faseb J., 35, 2021
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3VD5
 | | E. coli (lacZ) beta-galactosidase (N460S) | | Descriptor: | Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Wheatley, R.W, Kappelhoff, J.C, Hahn, J.N, Dugdale, M.L, Dutkoski, M.J, Tamman, S.D, Fraser, M.E, Huber, R.E. | | Deposit date: | 2012-01-04 | | Release date: | 2012-04-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Substitution for Asn460 cripples {beta}-galactosidase (Escherichia coli) by increasing substrate affinity and decreasing transition state stability.
Arch.Biochem.Biophys., 521, 2012
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6S3R
 | | Structure of the FliPQR complex from the flagellar type 3 secretion system of Pseudomonas savastanoi. | | Descriptor: | Flagellar biosynthetic protein FliP, Flagellar biosynthetic protein FliQ, Flagellar biosynthetic protein FliR | | Authors: | Kuhlen, L, Johnson, S, Deme, J.C, Lea, S.M. | | Deposit date: | 2019-06-25 | | Release date: | 2020-03-25 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The substrate specificity switch FlhB assembles onto the export gate to regulate type three secretion.
Nat Commun, 11, 2020
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8F39
 | | Yeast ATP synthase in conformation-2, at pH 6 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP synthase protein 8, ATP synthase subunit 4, ... | | Authors: | Sharma, S, Patel, H, Luo, M, Mueller, D.M, Liao, M. | | Deposit date: | 2022-11-09 | | Release date: | 2024-02-07 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Conformational ensemble of yeast ATP synthase at low pH reveals unique intermediates and plasticity in F 1 -F o coupling.
Nat.Struct.Mol.Biol., 31, 2024
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4CX5
 | | Structure of rat neuronal nitric oxide synthase H341L mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(PYRIDIN-2-YL) PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE | | Descriptor: | 4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-04-03 | | Release date: | 2014-08-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
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5Y4R
 | | Structure of a methyltransferase complex | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Chemotaxis protein methyltransferase 1, Cyclic diguanosine monophosphate-binding protein PA4608, ... | | Authors: | Yan, X, Xin, L, Tan, Y.J, Jin, S, Liang, Z.X, Gao, Y.G. | | Deposit date: | 2017-08-04 | | Release date: | 2017-11-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.298 Å) | | Cite: | Structural analyses unravel the molecular mechanism of cyclic di-GMP regulation of bacterial chemotaxis via a PilZ adaptor protein.
J. Biol. Chem., 293, 2018
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6M3B
 | | hAPC-c25k23 Fab complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Vitamin K-dependent protein C heavy chain, Vitamin K-dependent protein C light chain, ... | | Authors: | Wang, X, Li, L, Zhao, X, Egner, U. | | Deposit date: | 2020-03-03 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Targeted inhibition of activated protein C by a non-active-site inhibitory antibody to treat hemophilia.
Nat Commun, 11, 2020
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3HNF
 | | Crystal structure of human ribonucleotide reductase 1 bound to the effectors TTP and dATP | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ... | | Authors: | Fairman, J.W, Wijerathna, S.R, Xu, H, Dealwis, C.G. | | Deposit date: | 2009-05-31 | | Release date: | 2011-02-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | Structural basis for allosteric regulation of human ribonucleotide reductase by nucleotide-induced oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
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6S7V
 | | Lipoteichoic acids flippase LtaA | | Descriptor: | MFS transporter | | Authors: | Zhang, B, Perez, C. | | Deposit date: | 2019-07-06 | | Release date: | 2020-04-22 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3.301 Å) | | Cite: | Structure of a proton-dependent lipid transporter involved in lipoteichoic acids biosynthesis.
Nat.Struct.Mol.Biol., 27, 2020
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3O1S
 | | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*AP*AP*(MDQ)P*AP*CP*CP*GP*T)-3'), ... | | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | | Deposit date: | 2010-07-22 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase.
Nature, 468, 2010
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6M98
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4CX0
 | | Structure of bovine endothelial nitric oxide synthase Y477A mutant heme domain in complex with 6-((((3S, 5R)-5-(((6-AMINO-4- METHYLPYRIDIN-2-YL)METHOXY)METHYL)PYRROLIDIN-3-YL)OXY)METHYL)-4- METHYLPYRIDIN-2-AMINE | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-04-03 | | Release date: | 2014-08-13 | | Last modified: | 2014-09-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
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3RYA
 | | Lactococcal OppA complexed with SLSQLSSQS | | Descriptor: | Oligopeptide, Oligopeptide-binding protein oppA | | Authors: | Berntsson, R.P.-A, Thunnissen, A.-M.W.H, Poolman, B, Slotboom, D.-J. | | Deposit date: | 2011-05-11 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Importance of a Hydrophobic Pocket for Peptide Binding in Lactococcal OppA.
J.Bacteriol., 193, 2011
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3VKL
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3VMM
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6RSS
 | | Solution structure of the fourth WW domain of WWP2 with GB1-tag | | Descriptor: | NEDD4-like E3 ubiquitin-protein ligase WWP2 | | Authors: | Wahl, L.C, Watt, J.E, Tolchard, J, Blumenschein, T.M.A, Chantry, A. | | Deposit date: | 2019-05-22 | | Release date: | 2019-10-09 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Smad7 Binds Differently to Individual and Tandem WW3 and WW4 Domains of WWP2 Ubiquitin Ligase Isoforms.
Int J Mol Sci, 20, 2019
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4CSU
 | | Cryo-EM structures of the 50S ribosome subunit bound with ObgE | | Descriptor: | 23S RRNA, 50S RIBOSOMAL PROTEIN L1, 50S RIBOSOMAL PROTEIN L11, ... | | Authors: | Feng, B, Mandava, C.S, Guo, Q, Wang, J, Cao, W, Li, N, Zhang, Y, Zhang, Y, Wang, Z, Wu, J, Sanyal, S, Lei, J, Gao, N. | | Deposit date: | 2014-03-10 | | Release date: | 2014-06-04 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (5.5 Å) | | Cite: | Structural and Functional Insights Into the Mode of Action of a Universally Conserved Obg Gtpase.
Plos Biol., 12, 2014
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6MBD
 | | Human Mcl-1 in complex with the designed peptide dM1 | | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, dM1 | | Authors: | Jenson, J.M, Keating, A.E. | | Deposit date: | 2018-08-29 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
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