5FYL
 
 | | Crystal Structure at 3.7 A Resolution of Fully Glycosylated HIV-1 Clade A BG505 SOSIP.664 Prefusion Env Trimer in Complex with Broadly Neutralizing Antibodies PGT122 and 35O22 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 ANTIBODY FAB HEAVY CHAIN, ... | | Authors: | Stewart-Jones, G.B.E, Zhou, T, Thomas, P.V, Kwong, P.D. | | Deposit date: | 2016-03-08 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Trimeric HIV-1-Env Structures Define Glycan Shields from Clades A, B and G
Cell(Cambridge,Mass.), 165, 2016
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5SVP
 | | Anomalous sulfur signal reveals the position of agonist 2-methylthio-ATP bound to the ATP-gated human P2X3 ion channel in the desensitized state | | Descriptor: | 1,2-ETHANEDIOL, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E. | | Deposit date: | 2016-08-07 | | Release date: | 2016-09-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.298 Å) | | Cite: | X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
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5OJG
 | | Crystal structure of the dehydrogenase/reductase SDR family member 4 (DHRS4) from Caenorhabditis elegans | | Descriptor: | Dehydrogenase/reductase SDR family member 4, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, butane-2,3-dione | | Authors: | Scheidig, A.J, Faust, A, Ebert, B, Maser, E, Kisiela, M. | | Deposit date: | 2017-07-21 | | Release date: | 2017-11-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure and catalytic characterization of the dehydrogenase/reductase SDR family member 4 (DHRS4) from Caenorhabditis elegans.
FEBS J., 285, 2018
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2X8Z
 | | Crystal structure of AnCE-captopril complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN CONVERTING ENZYME, L-CAPTOPRIL, ... | | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | | Deposit date: | 2010-03-14 | | Release date: | 2010-06-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs.
J.Mol.Biol., 400, 2010
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5W8S
 | | Lipid A Disaccharide Synthase (LpxB)-7 solubilizing mutations | | Descriptor: | LITHIUM ION, Lipid-A-disaccharide synthase, SODIUM ION | | Authors: | Bohl, T.E, Aihara, H, Shi, K, Lee, J.K. | | Deposit date: | 2017-06-22 | | Release date: | 2018-01-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of lipid A disaccharide synthase LpxB from Escherichia coli.
Nat Commun, 9, 2018
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1Q38
 | | Anastellin | | Descriptor: | Fibronectin | | Authors: | Briknarova, K, Akerman, M.E, Hoyt, D.W, Ruoslahti, E, Ely, K.R. | | Deposit date: | 2003-07-28 | | Release date: | 2003-11-04 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Anastellin, an FN3 fragment with fibronectin polymerization activity, resembles amyloid fibril precursors
J.Mol.Biol., 332, 2003
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6RS8
 | | X-ray crystal structure of LsAA9B (transition metals soak) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2019-05-21 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases.
J.Biol.Chem., 294, 2019
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2X91
 | | Crystal structure of AnCE-lisinopril complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ANGIOTENSIN CONVERTING ENZYME, ... | | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | | Deposit date: | 2010-03-14 | | Release date: | 2010-06-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs.
J.Mol.Biol., 400, 2010
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5SVK
 | | Crystal structure of the ATP-gated human P2X3 ion channel in the ATP-bound, open state | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E. | | Deposit date: | 2016-08-06 | | Release date: | 2016-09-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.773 Å) | | Cite: | X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
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2OS0
 | | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes | | Descriptor: | NICKEL (II) ION, Peptide deformylase, SULFATE ION | | Authors: | Kim, E.E, Kim, K.-H, Moon, J.H, Choi, K, Lee, H.K, Park, H.S. | | Deposit date: | 2007-02-05 | | Release date: | 2008-03-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes
To be Published
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6C3U
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5SVT
 | | Anomalous Cs+ signal reveals the site of Na+ ion entry to the channel pore of the human P2X3 ion channel through the extracellular fenestrations | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, P2X purinoceptor 3, ... | | Authors: | Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E. | | Deposit date: | 2016-08-07 | | Release date: | 2016-09-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.794 Å) | | Cite: | X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
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1PR2
 | | Escherichia coli Purine Nucleoside Phosphorylase Complexed with 9-beta-D-[2-deoxyribofuranosyl]-6-methylpurine and Phosphate/Sulfate | | Descriptor: | 9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-6-METHYLPURINE, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type | | Authors: | Bennett, E.M, Li, C, Allan, P.W, Parker, W.B, Ealick, S.E. | | Deposit date: | 2003-06-19 | | Release date: | 2003-11-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for substrate specificity of Escherichia coli purine nucleoside phosphorylase.
J.Biol.Chem., 278, 2003
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5OJI
 | | Crystal structure of the dehydrogenase/reductase SDR family member 4 (DHRS4) from Caenorhabditis elegans | | Descriptor: | Dehydrogenase/reductase SDR family member 4, ISATIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Scheidig, A.J, Faust, A, Ebert, B, Maser, E, Kisiela, M. | | Deposit date: | 2017-07-21 | | Release date: | 2017-11-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure and catalytic characterization of the dehydrogenase/reductase SDR family member 4 (DHRS4) from Caenorhabditis elegans.
FEBS J., 285, 2018
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5SVL
 | | Crystal structure of the ATP-gated human P2X3 ion channel in the ATP-bound, closed (desensitized) state | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E. | | Deposit date: | 2016-08-06 | | Release date: | 2016-10-05 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
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2X94
 | | Crystal structure of AnCE-perindoprilat complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ANGIOTENSIN CONVERTING ENZYME, ... | | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | | Deposit date: | 2010-03-14 | | Release date: | 2010-06-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs.
J.Mol.Biol., 400, 2010
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4ZM5
 | | Shigella flexneri lipopolysaccharide O-antigen chain-length regulator WzzBSF - A107P mutant | | Descriptor: | CHLORIDE ION, Chain length determinant protein, MAGNESIUM ION | | Authors: | Ericsson, D.J, Chang, C.-W, Lonhienne, T, Casey, L, Benning, F, Kobe, B, Tran, E.N.H, Morona, R. | | Deposit date: | 2015-05-02 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structural and Biochemical Analysis of a Single Amino-Acid Mutant of WzzBSF That Alters Lipopolysaccharide O-Antigen Chain Length in Shigella flexneri.
Plos One, 10, 2015
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5SVS
 | | Anomalous Mn2+ signal reveals a divalent cation-binding site in the head domain of the ATP-gated human P2X3 ion channel | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | | Authors: | Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E. | | Deposit date: | 2016-08-07 | | Release date: | 2016-09-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (4.025 Å) | | Cite: | X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
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6C9G
 | | AMP-activated protein kinase bound to pharmacological activator R739 | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1,5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Yan, Y, Zhou, X.E, Novick, S, Shaw, S.J, Li, Y, Hitoshi, Y, Brunzelle, J.S, Griffin, P.R, Xu, H.E, Melcher, K. | | Deposit date: | 2018-01-26 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of AMP-activated protein kinase bound to novel pharmacological activators in phosphorylated, non-phosphorylated, and nucleotide-free states.
J. Biol. Chem., 294, 2019
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6G2H
 | | Filament of acetyl-CoA carboxylase and BRCT domains of BRCA1 (ACC-BRCT) core at 4.6 A resolution | | Descriptor: | Acetyl-CoA carboxylase 1 | | Authors: | Hunkeler, M, Hagmann, A, Stuttfeld, E, Chami, M, Stahlberg, H, Maier, T. | | Deposit date: | 2018-03-23 | | Release date: | 2018-06-13 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structural basis for regulation of human acetyl-CoA carboxylase.
Nature, 558, 2018
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6BQH
 | | Crystal structure of 5-HT2C in complex with ritanserin | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one, ... | | Authors: | Peng, Y, McCorvy, J.D, Harpsoe, K, Lansu, K, Yuan, S, Popov, P, Qu, L, Pu, M, Che, T, Nikolajse, L.F, Huang, X.P, Wu, Y, Shen, L, Bjorn-Yoshimoto, W.E, Ding, K, Wacker, D, Han, G.W, Cheng, J, Katritch, V, Jensen, A.A, Hanson, M.A, Zhao, S, Gloriam, D.E, Roth, B.L, Stevens, R.C, Liu, Z. | | Deposit date: | 2017-11-27 | | Release date: | 2018-02-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
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6G5U
 | | Crystal structure of human carbonic anhydrase isozyme XIII with N-butyl-2,4-dichloro-5-sulfamoyl-benzamide | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Carbonic anhydrase 13, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2018-03-30 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Eur J Med Chem, 156, 2018
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6G6T
 | | Crystal structure of human carbonic anhydrase isozyme II with N-butyl-2,4-dichloro-5-sulfamoyl-benzamide | | Descriptor: | BICINE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2018-04-03 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Eur J Med Chem, 156, 2018
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1G38
 | | ADENINE-SPECIFIC METHYLTRANSFERASE M. TAQ I/DNA COMPLEX | | Descriptor: | 5'-D(*GP*AP*CP*AP*TP*CP*GP*(6MA)P*AP*C)-3', 5'-D(*GP*TP*TP*CP*GP*AP*TP*GP*TP*C)-3', 5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE, ... | | Authors: | Goedecke, K, Pignot, M, Goody, R.S, Scheidig, A.J, Weinhold, E. | | Deposit date: | 2000-10-23 | | Release date: | 2001-03-05 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the N6-adenine DNA methyltransferase M.TaqI in complex with DNA and a cofactor analog.
Nat.Struct.Biol., 8, 2001
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8TIX
 | | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 5' terminal phosphates and crosslinked with EDC. | | Descriptor: | DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*G)-3'), MAGNESIUM ION, ... | | Authors: | Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D. | | Deposit date: | 2023-07-20 | | Release date: | 2023-08-02 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
Acs Nanosci Au, 2024
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