6C0O
 
 | | Crystal structure of HIV-1 K103N mutant reverse transcriptase in complex with non-nucleoside inhibitor 25a | | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | | Deposit date: | 2018-01-01 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
|
|
6BMZ
 | | Influenza A M2 transmembrane domain bound to a spiroadamantane inhibitor | | Descriptor: | (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, CHLORIDE ION, Matrix protein 2 | | Authors: | Thomaston, J.L, DeGrado, W.F. | | Deposit date: | 2017-11-15 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.634 Å) | | Cite: | Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters.
J. Am. Chem. Soc., 140, 2018
|
|
6BIH
 | | The Structure of the Actin-Smooth Muscle Myosin Motor Domain Complex in the Rigor State | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Taylor, K.A, Banerjee, C, Hu, Z. | | Deposit date: | 2017-11-02 | | Release date: | 2018-09-19 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | The structure of the actin-smooth muscle myosin motor domain complex in the rigor state.
J. Struct. Biol., 200, 2017
|
|
6C0J
 | | Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ... | | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | | Deposit date: | 2018-01-01 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
|
|
3BH4
 | | High resolution crystal structure of Bacillus amyloliquefaciens alpha-amylase | | Descriptor: | Alpha-amylase, CALCIUM ION, SODIUM ION | | Authors: | Alikhajeh, J, Khajeh, K, Ranjbar, B, Naderi-Manesh, H, Lin, Y.H, Liu, M.Y, Chen, C.J. | | Deposit date: | 2007-11-28 | | Release date: | 2008-12-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of Bacillus amyloliquefaciens alpha-amylase at high resolution: implications for thermal stability.
Acta Crystallogr.,Sect.F, 66, 2010
|
|
6C3P
 | | Cryo-EM structure of human KATP bound to ATP and ADP in propeller form | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ... | | Authors: | Lee, K.P.K, Chen, J, MacKinnon, R. | | Deposit date: | 2018-01-10 | | Release date: | 2018-01-24 | | Method: | ELECTRON MICROSCOPY (5.6 Å) | | Cite: | Molecular structure of human KATP in complex with ATP and ADP.
Elife, 6, 2017
|
|
6C71
 | | Nicotine Oxidoreductase in Complex with S-nicotine | | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Tararina, M.A, Allen, K.N. | | Deposit date: | 2018-01-19 | | Release date: | 2018-07-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.649 Å) | | Cite: | Crystallography Coupled with Kinetic Analysis Provides Mechanistic Underpinnings of a Nicotine-Degrading Enzyme.
Biochemistry, 57, 2018
|
|
6BY3
 | | Open and conductive conformation of KcsA-T75A mutant | | Descriptor: | Antibody Heavy Chain, Antibody Light Chain, DIACYL GLYCEROL, ... | | Authors: | Labro, A.J, Cortes, D.M, Tilegenova, C, Cuello, L.G. | | Deposit date: | 2017-12-19 | | Release date: | 2018-05-09 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Inverted allosteric coupling between activation and inactivation gates in K+channels.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6C0L
 | | Crystal structure of HIV-1 E138K mutant reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ... | | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | | Deposit date: | 2018-01-01 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
|
|
3B2P
 | | Crystal structure of E. coli Aminopeptidase N in complex with arginine | | Descriptor: | ARGININE, Aminopeptidase N, GLYCEROL, ... | | Authors: | Anthony, A, Leslie, G, Matthews, B.W. | | Deposit date: | 2007-10-18 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for the unusual specificity of Escherichia coli aminopeptidase N.
Biochemistry, 47, 2008
|
|
6BW2
 | | Mcl-1 complexed with small molecules | | Descriptor: | 3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}methyl)benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Zhao, B. | | Deposit date: | 2017-12-14 | | Release date: | 2018-01-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.
J. Med. Chem., 61, 2018
|
|
6C0V
 | |
6BX4
 | |
6C1R
 | | Crystal structure of human C5a receptor in complex with an orthosteric antagonist PMX53 and an allosteric antagonist avacopan | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MALONATE ION, OLEIC ACID, ... | | Authors: | Liu, H, Wang, L, Wei, Z, Zhang, C. | | Deposit date: | 2018-01-05 | | Release date: | 2018-05-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Orthosteric and allosteric action of the C5a receptor antagonists.
Nat. Struct. Mol. Biol., 25, 2018
|
|
6BY2
 | | Closed and deep-inactivated conformation of KcsA-T75A mutant | | Descriptor: | Antibody Heavy Chain, Antibody Light Chain, DIACYL GLYCEROL, ... | | Authors: | Labro, A.J, Cortes, D.M, Tilegenova, C, Cuello, L.G. | | Deposit date: | 2017-12-19 | | Release date: | 2018-05-09 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Inverted allosteric coupling between activation and inactivation gates in K+channels.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6C2W
 | | Crystal structure of human prothrombin mutant S101C/A470C | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Prothrombin, ... | | Authors: | Chinnaraj, M, Chen, Z, Pelc, L, Grese, Z, Bystranowska, D, Di Cera, E, Pozzi, N. | | Deposit date: | 2018-01-09 | | Release date: | 2018-02-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (4.12 Å) | | Cite: | Structure of prothrombin in the closed form reveals new details on the mechanism of activation.
Sci Rep, 8, 2018
|
|
6C6L
 | | Yeast Vacuolar ATPase Vo in lipid nanodisc | | Descriptor: | V-type proton ATPase subunit a, vacuolar isoform, V-type proton ATPase subunit c, ... | | Authors: | Roh, S, Stam, N.J, Hryc, C, Couoh-Cardel, S, Pintilie, G, Chiu, W, Wilkens, S. | | Deposit date: | 2018-01-19 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The 3.5- angstrom CryoEM Structure of Nanodisc-Reconstituted Yeast Vacuolar ATPase VoProton Channel.
Mol. Cell, 69, 2018
|
|
6C1Q
 | | Crystal structure of human C5a receptor in complex with an orthosteric antagonist PMX53 and an allosteric antagonist NDT9513727 | | Descriptor: | 1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine, PMX53, Soluble cytochrome b562, ... | | Authors: | Liu, H, Wang, L, Wei, Z, Zhang, C. | | Deposit date: | 2018-01-05 | | Release date: | 2018-05-30 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Orthosteric and allosteric action of the C5a receptor antagonists.
Nat. Struct. Mol. Biol., 25, 2018
|
|
3DSY
 | |
3DUH
 | | Structure of Interleukin-23 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit beta, Interleukin-23 subunit alpha | | Authors: | Lupardus, P.J, Garcia, K.C. | | Deposit date: | 2008-07-17 | | Release date: | 2008-08-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of interleukin-23 reveals the molecular basis of p40 subunit sharing with interleukin-12.
J.Mol.Biol., 382, 2008
|
|
3DVL
 | |
6BV0
 | | Crystal structure of porcine aminopeptidase-N with Arginine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chen, L, Lin, Y.-L, Li, F. | | Deposit date: | 2017-12-12 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | The Rational Design of Therapeutic Peptides for Aminopeptidase N using a Substrate-Based Approach.
Sci Rep, 7, 2017
|
|
6BOQ
 | | Human APE1 substrate complex with an A/A mismatch adjacent the THF | | Descriptor: | 1,2-ETHANEDIOL, 21-mer DNA, DNA-(apurinic or apyrimidinic site) lyase | | Authors: | Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S. | | Deposit date: | 2017-11-20 | | Release date: | 2018-08-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches.
Acta Crystallogr D Struct Biol, 74, 2018
|
|
6BW5
 | | Human GPT (DPAGT1) in complex with tunicamycin | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Tunicamycin, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase | | Authors: | Yoo, J, Kuk, A.C.Y, Mashalidis, E.H, Lee, S.-Y. | | Deposit date: | 2017-12-14 | | Release date: | 2018-02-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | GlcNAc-1-P-transferase-tunicamycin complex structure reveals basis for inhibition of N-glycosylation.
Nat. Struct. Mol. Biol., 25, 2018
|
|
6BWU
 | | Crystal structure of carboxyhemoglobin in complex with beta Cys93 modifying agent, TD3 | | Descriptor: | 1H-1,2,3-triazole-5-thiol, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | Authors: | Musayev, F.N, Safo, R.M, Safo, M.K. | | Deposit date: | 2017-12-15 | | Release date: | 2018-01-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Triazole Disulfide Compound Increases the Affinity of Hemoglobin for Oxygen and Reduces the Sickling of Human Sickle Cells.
Mol. Pharm., 15, 2018
|
|
