4JOI
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![BU of 4joi by Molmil](/molmil-images/mine/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
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![BU of 5cqg by Molmil](/molmil-images/mine/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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7ZDZ
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![BU of 7zdz by Molmil](/molmil-images/mine/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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7ADI
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![BU of 7adi by Molmil](/molmil-images/mine/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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3ZRS
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![BU of 3zrs by Molmil](/molmil-images/mine/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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4LP8
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![BU of 4lp8 by Molmil](/molmil-images/mine/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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2VUH
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2VUI
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![BU of 2vui by Molmil](/molmil-images/mine/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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4JXI
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![BU of 4jxi by Molmil](/molmil-images/mine/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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2JK1
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![BU of 2jk1 by Molmil](/molmil-images/mine/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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1NEC
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![BU of 1nec by Molmil](/molmil-images/mine/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
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![BU of 8eg6 by Molmil](/molmil-images/mine/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: | 2023-10-25 | 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
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![BU of 8eg5 by Molmil](/molmil-images/mine/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: | 2023-10-25 | 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
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![BU of 4jqf by Molmil](/molmil-images/mine/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: | 2013-07-24 | 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
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![BU of 3hd3 by Molmil](/molmil-images/mine/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
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![BU of 4dyo by Molmil](/molmil-images/mine/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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3MQD
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4JV3
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![BU of 4jv3 by Molmil](/molmil-images/mine/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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3LRF
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3U0E
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3U0F
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5C5V
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![BU of 5c5v by Molmil](/molmil-images/mine/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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1EAS
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![BU of 1eas by Molmil](/molmil-images/mine/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: | 2024-06-05 | 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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1EAU
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![BU of 1eau by Molmil](/molmil-images/mine/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: | 2024-06-05 | 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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1EAT
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![BU of 1eat by Molmil](/molmil-images/mine/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: | 2024-06-05 | 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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