3KH1
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6TEP
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![BU of 6tep by Molmil](/molmil-images/mine/6tep) | Crystal structure of a galactokinase from Bifidobacterium infantis in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A. | Deposit date: | 2019-11-12 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides. Cell Chem Biol, 27, 2020
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5GS4
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![BU of 5gs4 by Molmil](/molmil-images/mine/5gs4) | Crystal structure of estrogen receptor alpha in complex with a stabilized peptide antagonist | Descriptor: | ARG-IAS-ILE-LEU-DNP-ARG-LEU-LEU-GLN, ESTRADIOL, Estrogen receptor, ... | Authors: | Xie, M, Wang, T, Li, Z.-G. | Deposit date: | 2016-08-13 | Release date: | 2017-08-30 | Last modified: | 2018-07-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of Inhibition of ER alpha-Coactivator Interaction by High-Affinity N-Terminus Isoaspartic Acid Tethered Helical Peptides J. Med. Chem., 60, 2017
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5UJD
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![BU of 5ujd by Molmil](/molmil-images/mine/5ujd) | SbnI from Staphylococcus pseudintermedius | Descriptor: | FORMIC ACID, Siderophore biosynthesis protein SbnI | Authors: | Murphy, M.E.P, Verstraete, M.M. | Deposit date: | 2017-01-17 | Release date: | 2018-01-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The heme-sensitive regulator SbnI has a bifunctional role in staphyloferrin B production by Staphylococcus aureus . J.Biol.Chem., 294, 2019
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1BYJ
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![BU of 1byj by Molmil](/molmil-images/mine/1byj) | GENTAMICIN C1A A-SITE COMPLEX | Descriptor: | 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose, 3,5-DIAMINO-CYCLOHEXANOL, 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranose, ... | Authors: | Yoshizawa, S, Fourmy, D, Puglisi, J.D. | Deposit date: | 1998-10-16 | Release date: | 1999-10-29 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structural origins of gentamicin antibiotic action. EMBO J., 17, 1998
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1RWT
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![BU of 1rwt by Molmil](/molmil-images/mine/1rwt) | Crystal Structure of Spinach Major Light-harvesting complex at 2.72 Angstrom Resolution | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Liu, Z, Yan, H, Wang, K, Kuang, T, Zhang, J, Gui, L, An, X, Chang, W. | Deposit date: | 2003-12-17 | Release date: | 2004-03-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Crystal structure of spinach major light-harvesting complex at 2.72 A resolution Nature, 428, 2004
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5UKY
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![BU of 5uky by Molmil](/molmil-images/mine/5uky) | DHp domain of PhoR of M. tuberculosis - native data | Descriptor: | 1,2-ETHANEDIOL, ATP-binding protein, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, S. | Deposit date: | 2017-01-23 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Asymmetric Structure of the Dimerization Domain of PhoR, a Sensor Kinase Important for the Virulence of Mycobacterium tuberculosis. ACS Omega, 2, 2017
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3L4O
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6K8G
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![BU of 6k8g by Molmil](/molmil-images/mine/6k8g) | H/D exchanged Hen egg-white lysozyme | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Kita, A, Morimoto, Y. | Deposit date: | 2019-06-11 | Release date: | 2020-06-17 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | Cite: | Hydrogen/deuterium exchange behavior in tetragonal hen egg-white lysozyme crystals affected by solution state. J.Appl.Crystallogr., 53, 2020
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7BVU
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5YJS
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![BU of 5yjs by Molmil](/molmil-images/mine/5yjs) | Structure of vicilin from Capsicum annuum | Descriptor: | 2-HYDROXYBENZOIC ACID, CHLORIDE ION, COPPER (I) ION, ... | Authors: | Shikhi, M, Nair, D.T, Salunke, D.M. | Deposit date: | 2017-10-11 | Release date: | 2018-10-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structure-guided identification of function: role ofCapsicum annuumvicilin during oxidative stress. Biochem. J., 475, 2018
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7EQF
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![BU of 7eqf by Molmil](/molmil-images/mine/7eqf) | Crystal Structure of a Transcription Factor in complex with Ligand | Descriptor: | (6~{R})-3-methyl-8-[(2~{S},4~{R},5~{S},6~{R})-6-methyl-5-[(2~{S},4~{R},5~{R},6~{R})-6-methyl-4-[(2~{S},5~{S},6~{S})-6-methyl-5-[(2~{S},4~{R},5~{S},6~{R})-6-methyl-5-[(2~{S},4~{S},5~{S},6~{R})-6-methyl-4-[(2~{S},5~{S},6~{S})-6-methyl-5-oxidanyl-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-1,6,11-tris(oxidanyl)-5,6-dihydrobenzo[a]anthracene-7,12-dione, TetR/AcrR family transcriptional regulator | Authors: | Uehara, S, Tsugita, A, Matsui, T, Yokoyama, T, Ostash, I, Ostash, B, Tanaka, Y. | Deposit date: | 2021-05-01 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | The carbohydrate tail of landomycin A is responsible for its interaction with the repressor protein LanK. Febs J., 289, 2022
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7C1O
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3K0H
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![BU of 3k0h by Molmil](/molmil-images/mine/3k0h) | The crystal structure of BRCA1 BRCT in complex with a minimal recognition tetrapeptide with an amidated C-terminus | Descriptor: | Breast cancer type 1 susceptibility protein, CHLORIDE ION, NICKEL (II) ION, ... | Authors: | Campbell, S.J, Edwards, R.A, Glover, J.N. | Deposit date: | 2009-09-24 | Release date: | 2010-03-02 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1 Structure, 18, 2010
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3K15
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![BU of 3k15 by Molmil](/molmil-images/mine/3k15) | Crystal Structure of BRCA1 BRCT D1840T in complex with a minimal recognition tetrapeptide with an amidated C-terminus | Descriptor: | Breast cancer type 1 susceptibility protein, CHLORIDE ION, NICKEL (II) ION, ... | Authors: | Campbell, S.J, Edwards, R.A, Glover, J.N. | Deposit date: | 2009-09-25 | Release date: | 2010-03-02 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1 Structure, 18, 2010
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7LA6
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![BU of 7la6 by Molmil](/molmil-images/mine/7la6) | THE STRUCTURE OF A SENSOR DOMAIN OF A HISTIDINE KINASE (VxrA) FROM VIBRIO CHOLERAE O1 BIOVAR ELTOR STR. N16961, N239 deletion mutant | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | Authors: | Tan, K, Wu, R, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-01-05 | Release date: | 2021-01-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Sensor Domain of Histidine Kinase VxrA of Vibrio cholerae - A Hairpin-swapped Dimer and its Conformational Change. J.Bacteriol., 203, 2021
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5CBV
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![BU of 5cbv by Molmil](/molmil-images/mine/5cbv) | Human Cyclophilin D Complexed with Inhibitor | Descriptor: | FORMIC ACID, Human Cyclophilin D, POTASSIUM ION, ... | Authors: | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | Deposit date: | 2015-07-01 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Human Cyclophilin D Complexed with Inhibitor To Be Published
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1NF6
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![BU of 1nf6 by Molmil](/molmil-images/mine/1nf6) | X-ray structure of the Desulfovibrio desulfuricans bacterioferritin: the diiron site in different catalytic states ("cycled" structure: reduced in solution and allowed to reoxidise before crystallisation) | Descriptor: | 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, FE (III) ION, GLYCEROL, ... | Authors: | Macedo, S, Romao, C.V, Mitchell, E, Matias, P.M, Liu, M.Y, Xavier, A.V, LeGall, J, Teixeira, M, Lindley, P, Carrondo, M.A. | Deposit date: | 2002-12-13 | Release date: | 2003-04-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The nature of the di-iron site in the bacterioferritin from
Desulfovibrio desulfuricans NAT.STRUCT.BIOL., 10, 2003
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5YKA
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![BU of 5yka by Molmil](/molmil-images/mine/5yka) | Crystal structure of the Kdo hydroxylase KdoO, a non-heme Fe(II) alphaketoglutarate dependent dioxygenase in complex with cobalt(II) | Descriptor: | ACETATE ION, CHLORIDE ION, COBALT (II) ION, ... | Authors: | Chung, H.S, Pemble, C.W, Joo, S.H, Raetz, C.R. | Deposit date: | 2017-10-12 | Release date: | 2018-09-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.448 Å) | Cite: | Biochemical and Structural Insights into an Fe(II)/ alpha-Ketoglutarate/O2-Dependent Dioxygenase, Kdo 3-Hydroxylase (KdoO). J. Mol. Biol., 430, 2018
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7XJC
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![BU of 7xjc by Molmil](/molmil-images/mine/7xjc) | Crystal structure of bacteriorhodopsin in the ground and K states after green laser irradiation | Descriptor: | 2,10,23-TRIMETHYL-TETRACOSANE, 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, ... | Authors: | Taguchi, S, Niwa, S, Takeda, K. | Deposit date: | 2022-04-16 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Detailed analysis of distorted retinal and its interaction with surrounding residues in the K intermediate of bacteriorhodopsin Commun Biol, 6, 2023
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7A70
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![BU of 7a70 by Molmil](/molmil-images/mine/7a70) | HEW lysozyme in complex with Ti(OH)4 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ... | Authors: | Calderone, V, Gigli, L, Ravera, E, Luchinat, C. | Deposit date: | 2020-08-27 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | On the Mechanism of Bioinspired Formation of Inorganic Oxides: Structural Evidence of the Electrostatic Nature of the Interaction between a Mononuclear Inorganic Precursor and Lysozyme. Biomolecules, 11, 2020
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6ZMA
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![BU of 6zma by Molmil](/molmil-images/mine/6zma) | Structure of the tRNA-Monooxygenase enzyme MiaE frozen under 140 bar of krypton using the soak and freeze methodology | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Carpentier, P, Atta, M. | Deposit date: | 2020-07-02 | Release date: | 2020-09-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural, biochemical and functional analyses of tRNA-monooxygenase enzyme MiaE from Pseudomonas putida provide insights into tRNA/MiaE interaction. Nucleic Acids Res., 48, 2020
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5SVJ
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![BU of 5svj by Molmil](/molmil-images/mine/5svj) | Crystal structure of the ATP-gated human P2X3 ion channel in the closed, apo state | 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: | 2016-08-06 | Release date: | 2016-09-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.984 Å) | Cite: | X-ray structures define human P2X3 receptor gating cycle and antagonist action. Nature, 538, 2016
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7LKS
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![BU of 7lks by Molmil](/molmil-images/mine/7lks) | 1.70 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2f | Descriptor: | (1R,2S)-2-((S)-2-(((((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Kashipathy, M.M, Lovell, S, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C. | Deposit date: | 2021-02-02 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease. J.Med.Chem., 64, 2021
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7LKX
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![BU of 7lkx by Molmil](/molmil-images/mine/7lkx) | 1.60 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3e | Descriptor: | (1R,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C. | Deposit date: | 2021-02-02 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease. J.Med.Chem., 64, 2021
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