4JOI
 
 | | Crystal structure of the human telomeric Stn1-Ten1 complex | | Descriptor: | CST complex subunit STN1, CST complex subunit TEN1 | | Authors: | Bryan, C, Rice, C, Harkisheimer, M, Schultz, D, Skordalakes, E. | | Deposit date: | 2013-03-18 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of the human telomeric stn1-ten1 capping complex.
Plos One, 8, 2013
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5CQG
 | | Structure of Tribolium telomerase in complex with the highly specific inhibitor BIBR1532 | | Descriptor: | 2-{[(2E)-3-(naphthalen-2-yl)but-2-enoyl]amino}benzoic acid, Telomerase reverse transcriptase | | Authors: | Bryan, C, Rice, C, Hoffman, H, Harkisheimer, M, Sweeney, M, Skordalakes, E. | | Deposit date: | 2015-07-21 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of Telomerase Inhibition by the Highly Specific BIBR1532.
Structure, 23, 2015
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7ADI
 | | KirBac3.1 W46R: role of a highly conserved tryptophan at the membrane-water interface of Kir channel | | Descriptor: | Inward rectifier potassium channel Kirbac3.1, MAGNESIUM ION, POTASSIUM ION | | Authors: | Venien-Bryan, C, Fagnen, C, De Zorzi, R, Bannwarth, L, Oubella, I, Haouz, A. | | Deposit date: | 2020-09-15 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Integrative Study of the Structural and Dynamical Properties of a KirBac3.1 Mutant: Functional Implication of a Highly Conserved Tryptophan in the Transmembrane Domain.
Int J Mol Sci, 23, 2021
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7ZDZ
 | | Cryo-EM structure of the human inward-rectifier potassium 2.1 channel (Kir2.1) | | Descriptor: | Inward rectifier potassium channel 2, POTASSIUM ION, STRONTIUM ION | | Authors: | Fernandes, C.A.H, Venien-Bryan, C, Fagnen, C, Zuniga, D. | | Deposit date: | 2022-03-30 | | Release date: | 2022-09-28 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Cryo-electron microscopy unveils unique structural features of the human Kir2.1 channel.
Sci Adv, 8, 2022
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2VUH
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2VUI
 | | Crystal structure of the HupR receiver domain in inhibitory phospho- state | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, HYDROGENASE TRANSCRIPTIONAL REGULATORY PROTEIN HUPR1, MAGNESIUM ION | | Authors: | Davies, K.M, Lowe, E.D, Venien-Bryan, C, Johnson, L.N. | | Deposit date: | 2008-05-26 | | Release date: | 2008-11-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The Hupr Receiver Domain Crystal Structure in its Nonphospho and Inhibitory Phospho States.
J.Mol.Biol., 385, 2009
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4LP8
 | | A Novel Open-State Crystal Structure of the Prokaryotic Inward Rectifier KirBac3.1 | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Inward rectifier potassium channel Kirbac3.1, ... | | Authors: | Zubcevic, L, Bavro, V.N, Muniz, J.R.C, Schmidt, M.R, Wang, S, De Zorzi, R, Venien-Bryan, C, Sansom, M.S.P, Nichols, C.G, Tucker, S.J. | | Deposit date: | 2013-07-15 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Control of KirBac3.1 Potassium Channel Gating at the Interface between Cytoplasmic Domains.
J.Biol.Chem., 289, 2014
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3ZRS
 | | X-ray crystal structure of a KirBac potassium channel highlights a mechanism of channel opening at the bundle-crossing gate. | | Descriptor: | ATP-SENSITIVE INWARD RECTIFIER POTASSIUM CHANNEL 10, CHLORIDE ION, POTASSIUM ION | | Authors: | Bavro, V.N, De Zorzi, R, Schmidt, M.R, Muniz, J.R.C, Zubcevic, L, Sansom, M.S.P, Venien-Bryan, C, Tucker, S.J. | | Deposit date: | 2011-06-17 | | Release date: | 2012-01-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structure of a Kirbac Potassium Channel with an Open Bundle Crossing Indicates a Mechanism of Channel Gating
Nat.Struct.Mol.Biol., 19, 2012
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2JK1
 | | Crystal structure of the wild-type HupR receiver domain | | Descriptor: | HYDROGENASE TRANSCRIPTIONAL REGULATORY PROTEIN HUPR1, MAGNESIUM ION | | Authors: | Davies, K.M, Lowe, E.D, Venien-Bryan, C, Johnson, L.N. | | Deposit date: | 2008-05-26 | | Release date: | 2008-11-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Hupr Receiver Domain Crystal Structure in its Nonphospho and Inhibitory Phospho States.
J.Mol.Biol., 385, 2009
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4JXI
 | | Directed evolution and rational design of a de novo designed esterase toward improved catalysis. Northeast Structural Genomics Consortium (NESG) Target OR184 | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, BROMIDE ION, GLYCEROL, ... | | Authors: | Kuzin, A, Smith, M.D, Richter, F, Lew, S, Seetharaman, R, Bryan, C, Lech, Z, Kiss, G, Moretti, R, Maglaqui, M, Xiao, R, Kohan, E, Smith, M, Everett, J.K, Nguyen, R, Pande, V, Hilvert, D, Kornhaber, G, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-03-28 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Directed evolution and rational design of a de novo designed esterase toward improved catalysis. Northeast Structural Genomics Consortium (NESG) Target OR184
To be Published
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1NEC
 | | NITROREDUCTASE FROM ENTEROBACTER CLOACAE | | Descriptor: | FLAVIN MONONUCLEOTIDE, PROTEIN (NITROREDUCTASE) | | Authors: | Hecht, H.J, Bryant, C, Erdmann, H, Pelletier, H, Sawaya, R. | | Deposit date: | 1999-03-30 | | Release date: | 2000-03-31 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of Nitroreductase from Enterobacter Cloacae
To be Published
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8EG6
 | | huCaspase-6 in complex with inhibitor 2a | | Descriptor: | (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | | Deposit date: | 2022-09-11 | | Release date: | 2023-05-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
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8EG5
 | | huCaspase-6 in complex with inhibitor 3a | | Descriptor: | (3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form), 1,2-ETHANEDIOL, Caspase-6 subunit p11, ... | | Authors: | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | | Deposit date: | 2022-09-11 | | Release date: | 2023-05-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
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4JQF
 | | Structure of the C-terminal domain of human telomeric Stn1 | | Descriptor: | CST complex subunit STN1 | | Authors: | Bryan, C.F, Rice, C.T, Harkisheimer, M, Schultz, D, Skordalakes, E. | | Deposit date: | 2013-03-20 | | Release date: | 2013-06-05 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of the human telomeric stn1-ten1 capping complex.
Plos One, 8, 2013
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3HD3
 | | High resolution crystal structure of cruzain bound to the vinyl sulfone inhibitor SMDC-256047 | | Descriptor: | (1R,2R)-2-[(4-chlorophenyl)carbonyl]-N-{(1S)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide, 1,2-ETHANEDIOL, Cruzipain, ... | | Authors: | Kerr, I.D, Debnath, M, Brinen, L.S. | | Deposit date: | 2009-05-06 | | Release date: | 2009-10-06 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Novel non-peptidic vinylsulfones targeting the S2 and S3 subsites of parasite cysteine proteases.
Bioorg.Med.Chem.Lett., 19, 2009
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4DYO
 | | Crystal Structure of Human Aspartyl Aminopeptidase (DNPEP) in complex with Aspartic acid Hydroxamate | | Descriptor: | Aspartyl aminopeptidase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Chaikuad, A, Pilka, E, Vollmar, M, Krojer, T, Muniz, J.R.C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-02-29 | | Release date: | 2012-03-14 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of human aspartyl aminopeptidase complexed with substrate analogue: insight into catalytic mechanism, substrate specificity and M18 peptidase family.
Bmc Struct.Biol., 12, 2012
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3U0E
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5C5V
 | | Recombinant Inorganic Pyrophosphatase from T brucei brucei | | Descriptor: | 1,2-ETHANEDIOL, Acidocalcisomal pyrophosphatase, BROMIDE ION, ... | | Authors: | Jamwal, A, Yogavel, M, Sharma, A. | | Deposit date: | 2015-06-22 | | Release date: | 2015-11-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural and Functional Highlights of Vacuolar Soluble Protein 1 from Pathogen Trypanosoma brucei brucei
J.Biol.Chem., 290, 2015
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3LRF
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3U0F
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3MQD
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4JV3
 | | Crystal structure of beta-ketoacyl synthase from Brucella melitensis in complex with platencin | | Descriptor: | 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid, Beta-ketoacyl synthase | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2013-03-25 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural characterization of beta-ketoacyl ACP synthase I bound to platencin and fragment screening molecules at two substrate binding sites.
Proteins, 88, 2020
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1EAS
 | | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 3. DESIGN, SYNTHESIS, X-RAY CRYSTALLOGRAPHIC ANALYSIS, AND STRUCTURE-ACTIVITY RELATIONSHIPS FOR A SERIES OF ORALLY ACTIVE 3-AMINO-6-PHENYLPYRIDIN-2-ONE TRIFLUOROMETHYL KETONES | | Descriptor: | 3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | | Authors: | Ceccarelli, C. | | Deposit date: | 1994-11-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 3. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of orally active 3-amino-6-phenylpyridin-2-one trifluoromethyl ketones.
J.Med.Chem., 37, 1994
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1EAT
 | | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 5. DESIGN, SYNTHESIS, AND X-RAY CRYSTALLOGRAPHY OF A SERIES OF ORALLY ACTIVE 5-AMINO-PYRIMIDIN-6-ONE-CONTAINING TRIFLUOROMETHYLKETONES | | Descriptor: | 2-[5-METHANESULFONYLAMINO-2-(4-AMINOPHENYL)-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | | Authors: | Ceccarelli, C. | | Deposit date: | 1994-11-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 5. Design, synthesis, and X-ray crystallography of a series of orally active 5-aminopyrimidin-6-one-containing trifluoromethyl ketones.
J.Med.Chem., 38, 1995
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1EAU
 | | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 6. DESIGN OF A POTENT, INTRATRACHEALLY ACTIVE, PYRIDONE-BASED TRIFLUOROMETHYL KETONE | | Descriptor: | 2-[5-AMINO-6-OXO-2-(2-THIENYL)-1,6-DIHYDROPYRIMIDIN-1-YL)-N-[3,3-DIFLUORO -1-ISOPROPYL-2-OXO-3-(N-(2-MORPHOLINO ETHYL)CARBAMOYL]PROPYL]ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | | Authors: | Ceccarelli, C. | | Deposit date: | 1994-11-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 6. Design of a potent, intratracheally active, pyridone-based trifluoromethyl ketone.
J.Med.Chem., 38, 1995
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