3UXK
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6HHW
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![BU of 6hhw by Molmil](/molmil-images/mine/6hhw) | Structure of T. thermophilus AspRS in Complex with 5'-O-(N-(L-aspartyl)-sulfamoyl)uridine | Descriptor: | 5'-O-(N-(L-aspartyl)-sulfamoyl)uridine, Aspartate--tRNA(Asp) ligase | Authors: | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2018-08-29 | Release date: | 2019-12-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases. Acs Chem.Biol., 15, 2020
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3HKB
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![BU of 3hkb by Molmil](/molmil-images/mine/3hkb) | Tubulin: RB3 Stathmin-like domain complex | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Dorleans, A, Gigant, B, Ravelli, R.B.G, Mailliet, P, Mikol, V, Knossow, M. | Deposit date: | 2009-05-23 | Release date: | 2009-09-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Variations in the colchicine-binding domain provide insight into the structural switch of tubulin Proc.Natl.Acad.Sci.USA, 106, 2009
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3HKD
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![BU of 3hkd by Molmil](/molmil-images/mine/3hkd) | Tubulin-TN16 : RB3 stathmin-like domain complex | Descriptor: | (3Z,5S)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Dorleans, A, Gigant, B, Ravelli, R.B.G, Mailliet, P, Mikol, V, Knossow, M. | Deposit date: | 2009-05-23 | Release date: | 2009-09-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Variations in the colchicine-binding domain provide insight into the structural switch of tubulin Proc.Natl.Acad.Sci.USA, 106, 2009
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1Y4A
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![BU of 1y4a by Molmil](/molmil-images/mine/1y4a) | Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59R/E60S mutant | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | Authors: | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | Deposit date: | 2004-11-30 | Release date: | 2005-05-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2 Biochemistry, 44, 2005
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6HOF
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1UPT
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![BU of 1upt by Molmil](/molmil-images/mine/1upt) | Structure of a complex of the golgin-245 GRIP domain with Arl1 | Descriptor: | ADP-RIBOSYLATION FACTOR-LIKE PROTEIN 1, GOLGI AUTOANTIGEN, GOLGIN SUBFAMILY A MEMBER 4, ... | Authors: | Panic, B, Perisic, O, Veprintsev, D.B, Williams, R.L, Munro, S. | Deposit date: | 2003-10-12 | Release date: | 2003-10-30 | Last modified: | 2019-10-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis for Arl1-Dependent Targeting of Homodimeric Grip Domains to the Golgi Apparatus Mol.Cell, 12, 2003
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3HL7
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![BU of 3hl7 by Molmil](/molmil-images/mine/3hl7) | Crystal Structure of Human p38alpha complexed with SD-0006 | Descriptor: | 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol, Mitogen-activated protein kinase 14 | Authors: | Shieh, H.-S, Kurumbail, R.G, Stegeman, R.A, Williams, J.M. | Deposit date: | 2009-05-26 | Release date: | 2009-07-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804. Biochemistry, 48, 2009
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1USZ
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![BU of 1usz by Molmil](/molmil-images/mine/1usz) | SeMet AfaE-3 adhesin from Escherichia Coli | Descriptor: | AFIMBRIAL ADHESIN AFA-III, CHLORIDE ION, SULFATE ION | Authors: | Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S. | Deposit date: | 2003-12-02 | Release date: | 2004-08-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.28 Å) | Cite: | High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol J.Biol.Chem., 279, 2004
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1UTQ
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![BU of 1utq by Molmil](/molmil-images/mine/1utq) | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | Descriptor: | CALCIUM ION, GLYCEROL, TRYPSINOGEN | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | Deposit date: | 2003-12-09 | Release date: | 2004-01-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements Protein Sci., 13, 2004
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4YZD
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![BU of 4yzd by Molmil](/molmil-images/mine/4yzd) | Crystal Structure of human phosphorylated IRE1alpha in complex with ADP-Mg | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Concha, N.O. | Deposit date: | 2015-03-24 | Release date: | 2015-11-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity. Mol.Pharmacol., 88, 2015
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3HRM
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![BU of 3hrm by Molmil](/molmil-images/mine/3hrm) | Crystal structure of Staphylococcus aureus protein SarZ in sulfenic acid form | Descriptor: | HTH-type transcriptional regulator sarZ | Authors: | Poor, C.B, Duguid, E, Rice, P.A, He, C. | Deposit date: | 2009-06-09 | Release date: | 2009-07-07 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of the reduced, sulfenic acid, and mixed disulfide forms of SarZ, a redox active global regulator in Staphylococcus aureus. J.Biol.Chem., 284, 2009
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5IC6
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![BU of 5ic6 by Molmil](/molmil-images/mine/5ic6) | Crystal structure of caspase-7 DEVE peptide complex | Descriptor: | Caspase-7 subunit p11, Caspase-7 subunit p20, DEVE peptide | Authors: | Seaman, J.E, Julien, O, Lee, P.S, Rettenmaier, T.J, Thomsen, N.D, Wells, J.A. | Deposit date: | 2016-02-22 | Release date: | 2016-07-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cacidases: caspases can cleave after aspartate, glutamate and phosphoserine residues. Cell Death Differ., 23, 2016
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6KLI
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![BU of 6kli by Molmil](/molmil-images/mine/6kli) | Crystal Structure of the Zea Mays laccase 3 complexed with sinapyl | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol, ... | Authors: | Xie, T, Liu, Z.C, Wang, G.G. | Deposit date: | 2019-07-30 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for monolignol oxidation by a maize laccase. Nat.Plants, 6, 2020
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3I6D
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![BU of 3i6d by Molmil](/molmil-images/mine/3i6d) | Crystal structure of PPO from bacillus subtilis with AF | Descriptor: | 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, ... | Authors: | Shen, Y. | Deposit date: | 2009-07-06 | Release date: | 2009-12-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural insight into unique properties of protoporphyrinogen oxidase from Bacillus subtilis J.Struct.Biol., 170, 2010
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1UTN
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![BU of 1utn by Molmil](/molmil-images/mine/1utn) | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZYLAMINE, CALCIUM ION, ... | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | Deposit date: | 2003-12-09 | Release date: | 2004-01-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements Protein Sci., 13, 2004
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227D
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![BU of 227d by Molmil](/molmil-images/mine/227d) | A CRYSTALLOGRAPHIC AND SPECTROSCOPIC STUDY OF THE COMPLEX BETWEEN D(CGCGAATTCGCG)2 AND 2,5-BIS(4-GUANYLPHENYL)FURAN, AN ANALOGUE OF BERENIL. STRUCTURAL ORIGINS OF ENHANCED DNA-BINDING AFFINITY | Descriptor: | 2,5-BIS(4-GUANYLPHENYL)FURAN, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Laughton, C.A, Tanious, F, Nunn, C.M, Boykin, D.W, Wilson, W.D, Neidle, S. | Deposit date: | 1995-08-08 | Release date: | 1995-11-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A crystallographic and spectroscopic study of the complex between d(CGCGAATTCGCG)2 and 2,5-bis(4-guanylphenyl)furan, an analogue of berenil. Structural origins of enhanced DNA-binding affinity. Biochemistry, 35, 1996
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6K42
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![BU of 6k42 by Molmil](/molmil-images/mine/6k42) | cryo-EM structure of alpha2BAR-Gi1 complex | Descriptor: | 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Alpha-2A adrenergic receptor,Endolysin,Alpha-2B adrenergic receptor,Alpha-2B adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Yuan, D, Liu, Z, Wang, H.W, Kobilka, B.K. | Deposit date: | 2019-05-23 | Release date: | 2020-04-15 | Last modified: | 2020-05-13 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Activation of the alpha2Badrenoceptor by the sedative sympatholytic dexmedetomidine. Nat.Chem.Biol., 16, 2020
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1USQ
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![BU of 1usq by Molmil](/molmil-images/mine/1usq) | Complex of E. Coli DraE adhesin with Chloramphenicol | Descriptor: | 1,2-ETHANEDIOL, CHLORAMPHENICOL, DR HEMAGGLUTININ STRUCTURAL SUBUNIT, ... | Authors: | Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S. | Deposit date: | 2003-11-27 | Release date: | 2004-08-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol J.Biol.Chem., 279, 2004
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2HMM
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![BU of 2hmm by Molmil](/molmil-images/mine/2hmm) | Crystal Structure of Naphthalene 1,2-Dioxygenase Bound to Anthracene | Descriptor: | 1,2-ETHANEDIOL, ANTHRACENE, FE (III) ION, ... | Authors: | Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S. | Deposit date: | 2006-07-11 | Release date: | 2006-10-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase. J.Bacteriol., 188, 2006
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5KUT
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![BU of 5kut by Molmil](/molmil-images/mine/5kut) | hMiro2 C-terminal GTPase domain, GDP-bound | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitochondrial Rho GTPase 2 | Authors: | Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M. | Deposit date: | 2016-07-13 | Release date: | 2016-09-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.693 Å) | Cite: | Structural insights into Parkin substrate lysine targeting from minimal Miro substrates. Sci Rep, 6, 2016
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5CY5
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![BU of 5cy5 by Molmil](/molmil-images/mine/5cy5) | Crystal structure of the T33-51H designed self-assembling protein tetrahedron | Descriptor: | T33-51H-A, T33-51H-B | Authors: | Cannon, K.A, Cascio, D, Park, R, Boyken, S, King, N, Yeates, T.O. | Deposit date: | 2015-07-30 | Release date: | 2016-08-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Design and structure of two new protein cages illustrate successes and ongoing challenges in protein engineering. Protein Sci., 29, 2020
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2HML
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![BU of 2hml by Molmil](/molmil-images/mine/2hml) | Crystal Structure of the Naphthalene 1,2-Dioxygenase F352V Mutant Bound to Phenanthrene. | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S. | Deposit date: | 2006-07-11 | Release date: | 2006-10-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase. J.Bacteriol., 188, 2006
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3LU8
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![BU of 3lu8 by Molmil](/molmil-images/mine/3lu8) | Human serum albumin in complex with compound 3 | Descriptor: | N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide, Serum albumin | Authors: | Buttar, D, Colclough, N, Gerhardt, S, MacFaul, P.A, Phillips, S.D, Plowright, A, Whittamore, P, Tam, K, Maskos, K, Steinbacher, S, Steuber, H. | Deposit date: | 2010-02-17 | Release date: | 2010-10-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions Bioorg.Med.Chem., 18, 2010
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3VRE
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![BU of 3vre by Molmil](/molmil-images/mine/3vre) | The crystal structure of hemoglobin from woolly mammoth in the deoxy form | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta/delta hybrid, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Noguchi, H, Campbell, K.L, Ho, C, Park, S.-Y, Tame, J.R.H. | Deposit date: | 2012-04-09 | Release date: | 2012-11-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of haemoglobin from woolly mammoth in liganded and unliganded states. Acta Crystallogr.,Sect.D, 68, 2012
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