7XDN
 
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7X7M
 | | Lumazine Synthase from Aquifex aeolicus | | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase | | Authors: | Sobhy, M.A, Hamdan, S.M. | | Deposit date: | 2022-03-09 | | Release date: | 2022-10-12 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.33 Å) | | Cite: | Cryo-electron structures of the extreme thermostable enzymes Sulfur Oxygenase Reductase and Lumazine Synthase.
Plos One, 17, 2022
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6ZIS
 | | Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide, TETRAETHYLENE GLYCOL, ... | | Authors: | Southall, S.M. | | Deposit date: | 2020-06-26 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine.
J.Med.Chem., 63, 2020
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5OX0
 | | Glycogen Phosphorylase in complex with CK898 | | Descriptor: | (1S)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1H-1,2,4-triazol-5-yl)-D-glucitol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D. | | Deposit date: | 2017-09-05 | | Release date: | 2018-02-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the beta-pocket of the active site of human liver glycogen phosphorylase with 3-(C-beta-d-glucopyranosyl)-5-(4-substituted-phenyl)-1, 2, 4-triazole inhibitors.
Bioorg. Chem., 77, 2018
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4ZYY
 | | Human GAR transformylase in complex with GAR and (S)-2-({5-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]-pyrimidin-6-yl)butyl]thiophene-3-carbonyl}amino)pentanedioic acid (AGF118) | | Descriptor: | (S)-2-({5-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]-pyrimidin-6-yl)butyl]thiophene-3-carbonyl}amino)pentanedioic acid, GLYCINAMIDE RIBONUCLEOTIDE, Trifunctional purine biosynthetic protein adenosine-3 | | Authors: | Deis, S.M, Dann III, C.E. | | Deposit date: | 2015-05-22 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and Enzymatic Analysis of Tumor-Targeted Antifolates That Inhibit Glycinamide Ribonucleotide Formyltransferase.
Biochemistry, 55, 2016
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4ZZ3
 | | Human GAR transformylase in complex with GAR and pemetrexed | | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | | Authors: | Deis, S.M, Dann III, C.E. | | Deposit date: | 2015-05-22 | | Release date: | 2015-12-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.504 Å) | | Cite: | 6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors.
J.Med.Chem., 58, 2015
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2A7W
 | | Crystal Structure of Phosphoribosyl-ATP Pyrophosphatase from Chromobacterium violaceum (ATCC 12472). NESG TARGET CVR7 | | Descriptor: | Phosphoribosyl-ATP pyrophosphatase | | Authors: | Benach, J, Forouhar, F, Kuzin, A.P, Abashidze, M, Vorobiev, S.M, Rong, X, Acton, T.B, Montelione, G.T, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-07-06 | | Release date: | 2005-10-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Phosphoribosyl-ATP Pyrophosphatase from Chromobacterium violaceum. NESG Target CVR7.
To be Published
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1QZC
 | | Coordinates of S12, SH44, LH69 and SRL separately fitted into the cryo-EM map of EF-Tu ternary complex (GDP.Kirromycin) bound 70S ribosome | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S12 | | Authors: | Valle, M, Zavialov, A, Li, W, Stagg, S.M, Sengupta, J, Nielsen, R.C, Nissen, P, Harvey, S.C, Ehrenberg, M, Frank, J. | | Deposit date: | 2003-09-16 | | Release date: | 2003-11-04 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (9 Å) | | Cite: | Incorporation of Aminoacyl-tRNA into the Ribosome as seen by Cryo-electron Microscopy
Nat.Struct.Biol., 10, 2003
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2AF7
 | | Crystal structure of the gamma-carboxymuconolactone decarboxylase from Methanobacterium thermoautotrophicum. Northeast Structural Genomics Consortium target TT747. | | Descriptor: | gamma-carboxymuconolactone decarboxylase | | Authors: | Vorobiev, S.M, Kuzin, A, Skarina, T, Savchenko, A, Semesi, A, Arrowsmith, C, Edwards, A, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-07-25 | | Release date: | 2005-08-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Crystal structure of the gamma-carboxymuconolactone decarboxylase from Methanobacterium thermoautotrophicum.
To be Published
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1QZB
 | | Coordinates of the A-site tRNA model fitted into the cryo-EM map of 70S ribosome in the pre-translocational state | | Descriptor: | Phe-tRNA | | Authors: | Valle, M, Zavialov, A, Li, W, Stagg, S.M, Sengupta, J, Nielsen, R.C, Nissen, P, Harvey, S.C, Ehrenberg, M, Frank, J. | | Deposit date: | 2003-09-16 | | Release date: | 2003-11-04 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (9 Å) | | Cite: | Incorporation of Aminoacyl-tRNA into the Ribosome as seen by Cryo-electron Microscopy
Nat.Struct.Biol., 10, 2003
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6ZHO
 | | Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Southall, S.M. | | Deposit date: | 2020-06-23 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine.
J.Med.Chem., 63, 2020
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5OMC
 | | Crystal structure of K. lactis Ddc2 N-terminus in complex with S. cerevisiae Rfa1 (K45E mutant) N-OB domain | | Descriptor: | CHLORIDE ION, DNA damage checkpoint protein LCD1, Replication factor A protein 1 | | Authors: | Deshpande, I, Seeber, A, Shimada, K, Keusch, J.J, Gut, H, Gasser, S.M. | | Deposit date: | 2017-07-28 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structural Basis of Mec1-Ddc2-RPA Assembly and Activation on Single-Stranded DNA at Sites of Damage.
Mol. Cell, 68, 2017
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2A1H
 | | X-ray crystal structure of human mitochondrial branched chain aminotransferase (BCATm) complexed with gabapentin | | Descriptor: | ACETIC ACID, PYRIDOXAL-5'-PHOSPHATE, [1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID, ... | | Authors: | Goto, M, Miyahara, I, Hirotsu, K, Conway, M, Yennawar, N, Islam, M.M, Hutson, S.M. | | Deposit date: | 2005-06-20 | | Release date: | 2005-09-06 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural determinants for branched-chain aminotransferase isozyme-specific inhibition by the anticonvulsant drug gabapentin.
J.Biol.Chem., 280, 2005
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1QZD
 | | EF-Tu.kirromycin coordinates fitted into the cryo-EM map of EF-Tu ternary complex (GDP.Kirromycin) bound 70S ribosome | | Descriptor: | Elongation factor Tu | | Authors: | Valle, M, Zavialov, A, Li, W, Stagg, S.M, Sengupta, J, Nielsen, R.C, Nissen, P, Harvey, S.C, Ehrenberg, M, Frank, J. | | Deposit date: | 2003-09-16 | | Release date: | 2003-11-04 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (10 Å) | | Cite: | Incorporation of Aminoacyl-tRNA into the Ribosome as seen by Cryo-electron Microscopy
Nat.Struct.Biol., 10, 2003
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5AZI
 | | Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with 4NP | | Descriptor: | 4-NITROPHENYL PHOSPHATE, GLYCEROL, Glycerol kinase | | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Tokuoka, S.M, Tokumasu, F, Sakamoto, K, Michels, P.A.M, Harada, S, Kita, K. | | Deposit date: | 2015-10-08 | | Release date: | 2016-10-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Glycerol kinase of African trypanosomes possesses an intrinsic phosphatase activity.
Biochim Biophys Acta Gen Subj, 1861, 2017
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2AEG
 | | X-Ray Crystal Structure of Protein Atu5096 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium Target AtR63. | | Descriptor: | hypothetical protein AGR_pAT_140 | | Authors: | Forouhar, F, Abashidze, M, Kuzin, A.P, Vorobiev, S.M, Shastry, R, Cooper, B, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-07-22 | | Release date: | 2005-08-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of the Hypothetical Protein Atu5096 from Agrobacterium tumefaciens.
To be Published
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1QZA
 | | Coordinates of the A/T site tRNA model fitted into the cryo-EM map of EF-Tu ternary complex (GDP.Kirromycin) bound 70S ribosome | | Descriptor: | Phe-tRNA | | Authors: | Valle, M, Zavialov, A, Li, W, Stagg, S.M, Sengupta, J, Nielsen, R.C, Nissen, P, Harvey, S.C, Ehrenberg, M, Frank, J. | | Deposit date: | 2003-09-16 | | Release date: | 2003-11-04 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (10 Å) | | Cite: | Incorporation of Aminoacyl-tRNA into the Ribosome as seen by Cryo-electron Microscopy
Nat.Struct.Biol., 10, 2003
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5B7Y
 | | Crystal Structure of Hyperthermophilic Thermotoga maritima L-Ketose-3-Epimerase with Co2+ | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, COBALT (II) ION, ... | | Authors: | Cao, T.P, Shin, S.M, Lee, D.W, Lee, S.H. | | Deposit date: | 2016-06-10 | | Release date: | 2017-03-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | TM0416, a Hyperthermophilic Promiscuous Nonphosphorylated Sugar Isomerase, Catalyzes Various C5and C6Epimerization Reactions
Appl. Environ. Microbiol., 83, 2017
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6YYE
 | | TREM2 extracellular domain (19-131) in complex with single-chain variable fragment (scFv-2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, TREM2 Single chain variable 2, Triggering receptor expressed on myeloid cells 2 | | Authors: | Szykowska, A, Preger, C, Krojer, T, Mukhopadhyay, S.M.M, McKinley, G, Graslund, S, Wigren, E, Persson, H, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Di Daniel, E, Burgess-Brown, N, Bullock, A. | | Deposit date: | 2020-05-04 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.36 Å) | | Cite: | Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
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7WUU
 | | CryoEM structure of loose sNS1 tetramer | | Descriptor: | Core protein | | Authors: | Shu, B, Lok, S.M. | | Deposit date: | 2022-02-09 | | Release date: | 2022-12-21 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (8.3 Å) | | Cite: | CryoEM structures of the multimeric secreted NS1, a major factor for dengue hemorrhagic fever.
Nat Commun, 13, 2022
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5OT0
 | | The thermostable L-asparaginase from Thermococcus kodakarensis | | Descriptor: | 1,2-ETHANEDIOL, L-asparaginase, PHOSPHATE ION, ... | | Authors: | Guo, J, Coker, A.R, Wood, S.P, Cooper, J.B, Rashid, N, Chohan, S.M, Akhtar, M. | | Deposit date: | 2017-08-18 | | Release date: | 2017-11-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structure and function of the thermostable L-asparaginase from Thermococcus kodakarensis.
Acta Crystallogr D Struct Biol, 73, 2017
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5OWZ
 | | Glycogen Phosphorylase in complex with KS172 | | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-[4-(trifluoromethyl)phenyl]-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D. | | Deposit date: | 2017-09-05 | | Release date: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Probing the beta-pocket of the active site of human liver glycogen phosphorylase with 3-(C-beta-d-glucopyranosyl)-5-(4-substituted-phenyl)-1, 2, 4-triazole inhibitors.
Bioorg. Chem., 77, 2018
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2AR9
 | | Crystal structure of a dimeric caspase-9 | | Descriptor: | Caspase-9, D-MALATE | | Authors: | Chao, Y, Shiozaki, E.N, Srinivassula, S.M, Rigotti, D.J, Fairman, R, Shi, Y. | | Deposit date: | 2005-08-19 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Engineering a Dimeric Caspase-9: A Re-Evaluation of the Induced Proximity Model for Caspase Activation
PLOS BIOL., 3, 2005
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2AXP
 | | X-Ray Crystal Structure of Protein BSU20280 from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR256. | | Descriptor: | hypothetical protein BSU20280 | | Authors: | Forouhar, F, Abashidze, M, Friedman, D, Vorobiev, S.M, Kuzin, A.P, Ciao, M, Conover, K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-09-05 | | Release date: | 2005-09-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the Hypothetical Protein BSU20280 from Bacillus subtilis, NESG target SR256
To be Published
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6Z7V
 | | Crystal structure of Mindy2 (C266A) in complex with Lys48 linked di-ubiquitin (K48-Ub2) | | Descriptor: | POTASSIUM ION, Polyubiquitin-C, TETRAETHYLENE GLYCOL, ... | | Authors: | Abdul Rehman, S.A, Lange, S.M, Kulathu, Y. | | Deposit date: | 2020-06-01 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Mechanism of activation and regulation of deubiquitinase activity in MINDY1 and MINDY2.
Mol.Cell, 81, 2021
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