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3UXK
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BU of 3uxk by Molmil
P. putida mandelate racemase co-crystallized with the intermediate analogue benzohydroxamate
Descriptor: BENZHYDROXAMIC ACID, MAGNESIUM ION, Mandelate racemase
Authors:Lietzan, A.D, Pellmann, E, St Maurice, M.
Deposit date:2011-12-05
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Structure of mandelate racemase with bound intermediate analogues benzohydroxamate and cupferron.
Biochemistry, 51, 2012
6HHW
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BU of 6hhw by Molmil
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
3HKB
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BU of 3hkb by Molmil
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
3HKD
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BU of 3hkd by Molmil
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
1Y4A
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BU of 1y4a by Molmil
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
6HOF
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BU of 6hof by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44852
Descriptor: 4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
1UPT
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BU of 1upt by Molmil
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
3HL7
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BU of 3hl7 by Molmil
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
1USZ
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BU of 1usz by Molmil
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
1UTQ
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BU of 1utq by Molmil
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
4YZD
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BU of 4yzd by Molmil
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
3HRM
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BU of 3hrm by Molmil
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
5IC6
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BU of 5ic6 by Molmil
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
6KLI
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BU of 6kli by Molmil
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
3I6D
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BU of 3i6d by Molmil
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
1UTN
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BU of 1utn by Molmil
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
227D
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BU of 227d by Molmil
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
6K42
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BU of 6k42 by Molmil
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
1USQ
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BU of 1usq by Molmil
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
2HMM
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BU of 2hmm by Molmil
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
5KUT
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BU of 5kut by Molmil
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
5CY5
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BU of 5cy5 by Molmil
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
2HML
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BU of 2hml by Molmil
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
3LU8
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BU of 3lu8 by Molmil
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
3VRE
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BU of 3vre by Molmil
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

223790

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