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4B3L
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BU of 4b3l by Molmil
Family 1 6-phospho-beta-D glycosidase from Streptococcus pyogenes
Descriptor: BETA-GLUCOSIDASE
Authors:Stepper, J, Dabin, J, Ekloef, J.M, Thongpoo, P, Kongsaeree, P.T, Taylor, E.J, Turkenburg, J.P, Brumer, H, Davies, G.J.
Deposit date:2012-07-24
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure and Activity of the Streptococcus Pyogenes Family Gh1 6-Phospho Beta-Glycosidase Spy1599
Acta Crystallogr.,Sect.D, 69, 2013
1G1V
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BU of 1g1v by Molmil
T4 LYSOZYME MUTANT C54T/C97A/I58T
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME
Authors:Quillin, M.L, Matthews, B.W.
Deposit date:2000-10-13
Release date:2001-05-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and thermodynamic analysis of the binding of solvent at internal sites in T4 lysozyme.
Protein Sci., 10, 2001
4G87
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BU of 4g87 by Molmil
Crystal structure of GLMU from Mycobacterium tuberculosis snapshot 1
Descriptor: Bifunctional protein GlmU, COBALT (II) ION, MAGNESIUM ION, ...
Authors:Jagtap, P.A, Verma, S.K, Prakash, B.
Deposit date:2012-07-22
Release date:2013-03-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal structures identify an atypical two-metal-ion mechanism for uridyltransfer in GlmU: its significance to sugar nucleotidyl transferases
J.Mol.Biol., 425, 2013
3PMY
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BU of 3pmy by Molmil
Endothiapepsin in complex with a fragment
Descriptor: Endothiapepsin, GLYCEROL, N-(1H-benzimidazol-1-yl)-2-phenylacetamide
Authors:Koester, H, Heine, A, Klebe, G.
Deposit date:2010-11-18
Release date:2011-11-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
J.Med.Chem., 54, 2011
3LE7
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BU of 3le7 by Molmil
Crystal structure of PD-L1 from P. dioica in complex with adenine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, Ribosome-inactivating protein PD-L1/PD-L2
Authors:Ruggiero, A, Berisio, R.
Deposit date:2010-01-14
Release date:2010-04-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The role of the glycan moiety on the structure-function relationships of PD-L1, type 1 ribosome-inactivating protein from P. dioica leaves
Mol Biosyst, 6, 2010
3LEQ
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BU of 3leq by Molmil
The Crystal Structure of the Roadblock/LC7 domain from Streptomyces avermitillis to 1.85A
Descriptor: uncharacterized protein cvnB5
Authors:Stein, A.J, Xu, X, Cui, H, Ng, J, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-01-15
Release date:2010-02-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Crystal Structure of the Roadblock/LC7 domain from Streptomyces avermitillis to 1.85A
To be Published
2OU9
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BU of 2ou9 by Molmil
Structure of Spin-labeled T4 Lysozyme Mutant T115R1/R119A
Descriptor: Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
Authors:Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L.
Deposit date:2007-02-09
Release date:2007-06-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural determinants of nitroxide motion in spin-labeled proteins: Tertiary contact and solvent-inaccessible sites in helix G of T4 lysozyme.
Protein Sci., 16, 2007
3POH
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BU of 3poh by Molmil
Crystal structure of an endo-beta-N-acetylglucosaminidase (BT_3987) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.55 A resolution
Descriptor: Endo-beta-N-acetylglucosaminidase F1, IMIDAZOLE
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-11-22
Release date:2010-12-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of an endo-beta-N-acetylglucosaminidase (BT_3987) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.55 A resolution
To be published
3G5O
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BU of 3g5o by Molmil
The crystal structure of the toxin-antitoxin complex RelBE2 (Rv2865-2866) from Mycobacterium tuberculosis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Miallau, L, Cascio, D, Eisenberg, D, TB Structural Genomics Consortium (TBSGC), Integrated Center for Structure and Function Innovation (ISFI)
Deposit date:2009-02-05
Release date:2009-04-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Comparative proteomics identifies the cell-associated lethality of M. tuberculosis RelBE-like toxin-antitoxin complexes.
Structure, 21, 2013
5PEW
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BU of 5pew by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 125)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
2HZN
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BU of 2hzn by Molmil
Abl kinase domain in complex with NVP-AFG210
Descriptor: 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
Deposit date:2006-08-09
Release date:2007-01-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
5PFA
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BU of 5pfa by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 139)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
4JUD
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BU of 4jud by Molmil
Crystal Structure of the Ser26Thr mutant of Benzoylformate Decarboxylase from Pseudomonas putida
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:McLeish, M.J, Brodkin, H.R.
Deposit date:2013-03-24
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of the Ser26Thr mutant of Benzoylformate Decarboxylase from Pseudomonas putida
To be Published
5PFQ
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BU of 5pfq by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 154)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
4GE4
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BU of 4ge4 by Molmil
Kynurenine Aminotransferase II Inhibitors
Descriptor: (5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
Authors:Pandit, J.
Deposit date:2012-08-01
Release date:2012-11-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions.
ACS Med Chem Lett, 4, 2013
5PG3
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BU of 5pg3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 167)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5D62
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BU of 5d62 by Molmil
MOA-Z-VAD-fmk complex, inverted orientation
Descriptor: 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ...
Authors:Cordara, G, Krengel, U.
Deposit date:2015-08-11
Release date:2016-03-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:An Unusual Member of the Papain Superfamily: Mapping the Catalytic Cleft of the Marasmius oreades agglutinin (MOA) with a Caspase Inhibitor.
Plos One, 11, 2016
3CP1
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BU of 3cp1 by Molmil
Structure of a longer thermalstable core domain of HIV-1 gp41 containing the enfuvirtide resistance mutation N43D
Descriptor: Transmembrane Protein
Authors:Wang, Z.M, Dwyer, J.J.
Deposit date:2008-03-30
Release date:2008-06-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Impact of the enfuvirtide resistance mutation N43D and the associated baseline polymorphism E137K on peptide sensitivity and six-helix bundle structure.
Biochemistry, 47, 2008
5PGO
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BU of 5pgo by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 187)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
3V08
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BU of 3v08 by Molmil
Crystal structure of Equine Serum Albumin
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, SULFATE ION, ...
Authors:Dayal, A, Jablonska, K, Porebski, P.J, Majorek, K.A, Chruszcz, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-12-07
Release date:2012-01-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural and immunologic characterization of bovine, horse, and rabbit serum albumins.
Mol.Immunol., 52, 2012
3LIC
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BU of 3lic by Molmil
Crystal Structure of the extracellular domain of the putative histidine kinase soHK1S-Z6
Descriptor: 1,2-ETHANEDIOL, Sensor protein
Authors:Zhang, Z, Hendrickson, W.A.
Deposit date:2010-01-24
Release date:2010-05-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization of the predominant family of histidine kinase sensor domains.
J.Mol.Biol., 400, 2010
2UWW
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BU of 2uww by Molmil
X-ray high resolution structure of the photosynthetic reaction center from Rb. sphaeroides at pH 6.5 in the neutral state
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Koepke, J, Diehm, R, Fritzsch, G.
Deposit date:2007-03-23
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Ph Modulates the Quinone Position in the Photosynthetic Reaction Center from Rhodobacter Sphaeroides in the Neutral and Charge Separated States.
J.Mol.Biol., 371, 2007
5PH9
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BU of 5ph9 by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09701a
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, N-OXALYLGLYCINE, ...
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-07
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
1R6T
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BU of 1r6t by Molmil
crystal structure of human tryptophanyl-tRNA synthetase
Descriptor: GLYCEROL, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase
Authors:Yang, X.-L, Otero, F.J, Skene, R.J, McRee, D.E, Ribas de Pouplana, L, Schimmel, P.
Deposit date:2003-10-16
Release date:2004-01-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures that suggest late development of genetic code components for differentiating aromatic side chains
Proc.Natl.Acad.Sci.USA, 100, 2003
6AVO
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BU of 6avo by Molmil
Cryo-EM structure of human immunoproteasome with a novel noncompetitive inhibitor that selectively inhibits activated lymphocytes
Descriptor: N~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-N~4~-tert-butyl-N~2~-(3-phenylpropanoyl)-L-aspartamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
Authors:Li, H, Santos, R, Bai, L.
Deposit date:2017-09-04
Release date:2017-12-06
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of human immunoproteasome with a reversible and noncompetitive inhibitor that selectively inhibits activated lymphocytes.
Nat Commun, 8, 2017

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