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4IXR
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BU of 4ixr by Molmil
RT fs X-ray diffraction of Photosystem II, first illuminated state
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Alonso-Mori, R, Tran, R, Hattne, J, Gildea, R.J, Echols, N, Gloeckner, C, Hellmich, J, Laksmono, H, Sierra, R.G, Lassalle-Kaiser, B, Koroidov, S, Lampe, A, Han, G, Gul, S, DiFiore, D, Milathianaki, D, Fry, A.R, Miahnahri, A, Schafer, D.W, Messerschmidt, M, Seibert, M.M, Koglin, J.E, Sokaras, D, Weng, T.-C, Sellberg, J, Latimer, M.J, Grosse-Kunstleve, R.W, Zwart, P.H, White, W.E, Glatzel, P, Adams, P.D, Bogan, M.J, Williams, G.J, Boutet, S, Messinger, J, Zouni, A, Sauter, N.K, Yachandra, V.K, Bergmann, U, Yano, J.
Deposit date:2013-01-27
Release date:2013-02-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (5.9 Å)
Cite:Simultaneous femtosecond X-ray spectroscopy and diffraction of photosystem II at room temperature.
Science, 340, 2013
3LOQ
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BU of 3loq by Molmil
The crystal structure of a universal stress protein from Archaeoglobus fulgidus DSM 4304
Descriptor: ACETATE ION, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Tan, K, Weger, A, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-02-04
Release date:2010-02-16
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:The crystal structure of a universal stress protein from Archaeoglobus fulgidus DSM 4304
To be Published
3TUE
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BU of 3tue by Molmil
The structure of tryparedoxin peroxidase I from Leishmania major
Descriptor: Tryparedoxin peroxidase
Authors:Fiorillo, A, Ilari, A, Colotti, G.
Deposit date:2011-09-16
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:The crystal structures of the tryparedoxin-tryparedoxin peroxidase couple unveil the structural determinants of leishmania detoxification pathway.
Plos Negl Trop Dis, 6, 2012
2A8F
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BU of 2a8f by Molmil
beta-cinnamomin after sterol removal
Descriptor: Beta-elicitin cinnamomin
Authors:Rodrigues, M.L, Archer, M, Martel, P, Miranda, S, Thomaz, M, Enguita, F.J, Baptista, R.P, Melo, E.P, Sousa, N, Cravador, A, Carrondo, M.A.
Deposit date:2005-07-08
Release date:2006-01-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structures of the free and sterol-bound forms of beta-cinnamomin
Biochim.Biophys.Acta, 1764, 2006
2OQK
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BU of 2oqk by Molmil
Crystal structure of putative Cryptosporidium parvum translation initiation factor eIF-1A
Descriptor: Putative translation initiation factor eIF-1A, SULFATE ION
Authors:Dong, A, Lew, J, Zhao, Y, Hassanali, A, Lin, L, Qiu, W, Brokx, S.J, Wasney, G, Vedadi, M, Kozieradzki, I, Bochkarev, A, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Altamentova, S, Structural Genomics Consortium (SGC)
Deposit date:2007-01-31
Release date:2007-02-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of putative Cryptosporidium parvum translation initiation factor eIF-1A
To be Published
4A6V
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BU of 4a6v by Molmil
X-ray structures of oxazole hydroxamate EcMetAp-Mn complexes
Descriptor: CARBONATE ION, MANGANESE (II) ION, METHIONINE AMINOPEPTIDASE, ...
Authors:Huguet, F, Melet, A, AlvesdeSousa, R, Lieutaud, A, Chevalier, J, Deschamps, P, Tomas, A, Leulliot, N, Pages, J.M, Artaud, I.
Deposit date:2011-11-09
Release date:2012-06-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Hydroxamic Acids as Potent Inhibitors of Fe(II) and Mn(II) E. Coli Methionine Aminopeptidase: Biological Activities and X-Ray Structures of Oxazole Hydroxamate-Ecmetap-Mn Complexes.
Chemmedchem, 7, 2012
2A9S
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BU of 2a9s by Molmil
The crystal structure of competence/damage inducible protein CihA from Agrobacterium tumefaciens
Descriptor: CHLORIDE ION, competence/damage-inducible protein CinA
Authors:Lunin, V.V, Evdokimova, E, Kudritska, M, Kim, Y, Joachimiak, A, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2005-07-12
Release date:2005-07-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The crystal structure of competence/damage inducible protein CihA from Agrobacterium tumefaciens
To be Published
2AAR
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BU of 2aar by Molmil
Structure of trigger factor binding domain in biologically homologous complex with eubacterial ribosome.
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L23, 50S ribosomal protein L29, ...
Authors:Baram, D, Pyetan, E, Sittner, A, Auerbach-Nevo, T, Bashan, A, Yonath, A.
Deposit date:2005-07-14
Release date:2005-08-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of trigger factor binding domain in biologically homologous complex with eubacterial ribosome reveals its chaperone action
Proc.Natl.Acad.Sci.Usa, 102, 2005
1JGD
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BU of 1jgd by Molmil
HLA-B*2709 bound to deca-peptide s10R
Descriptor: BETA-2-MICROGLOBULIN, GLYCEROL, HUMAN LYMPHOCYTE ANTIGEN HLA-B27, ...
Authors:Hillig, R.C, Huelsmeyer, M, Saenger, W, Volz, A, Uchanska-Ziegler, B, Ziegler, A.
Deposit date:2001-06-25
Release date:2003-07-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Thermodynamic and structural analysis of peptide- and allele-dependent properties of two HLA-B27 subtypes exhibiting differential disease association
J.Biol.Chem., 279, 2004
5HBJ
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BU of 5hbj by Molmil
CDK8-CYCC IN COMPLEX WITH 8-[2-Amino-3-chloro-5-(1-methyl-1H-indazol-5-yl)-pyridin-4-yl]-2,8-diaza-spiro[4.5]decan-1-one
Descriptor: 1,2-ETHANEDIOL, 8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, ...
Authors:Musil, D, Blagg, J, Mallinger, A.
Deposit date:2015-12-31
Release date:2016-02-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
2OR0
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BU of 2or0 by Molmil
Structural Genomics, the crystal structure of a putative hydroxylase from Rhodococcus sp. RHA1
Descriptor: ACETATE ION, Hydroxylase
Authors:Tan, K, Skarina, T, Kagen, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-02-01
Release date:2007-03-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of a putative hydroxylase from Rhodococcus sp. RHA1
To be Published
3GKW
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BU of 3gkw by Molmil
Crystal structure of the Fab fragment of Nimotuzumab. An anti-epidermal growth factor receptor antibody
Descriptor: DI(HYDROXYETHYL)ETHER, Heavy chain of the antibody Nimotuzumab, Light chain of the antibody Nimotuzumab, ...
Authors:Talavera, A, Friemann, R, Martinez-Fleites, C, Moreno, E, Krengel, U.
Deposit date:2009-03-11
Release date:2009-08-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Nimotuzumab, an antitumor antibody that targets the epidermal growth factor receptor, blocks ligand binding while permitting the active receptor conformation
Cancer Res., 69, 2009
3LMK
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BU of 3lmk by Molmil
Ligand Binding Domain of Metabotropoc glutamate receptor mGluR5 complexed with glutamate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, MAGNESIUM ION, ...
Authors:Dobrovetsky, E, Khutoreskaya, G, Seitova, A, Cossar, D, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Bochkarev, A, Structural Genomics Consortium (SGC)
Deposit date:2010-01-30
Release date:2010-02-16
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Metabotropic Glutamate receptor mGluR5 complexed with glutamate
To be Published
3LOR
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BU of 3lor by Molmil
The Crystal Structure of a Thiol-disulfide Isomerase from Corynebacterium glutamicum to 2.2A
Descriptor: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Stein, A.J, Osipiuk, J, Weger, A, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-02-04
Release date:2010-03-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Crystal Structure of a Thiol-disulfide Isomerase from Corynebacterium glutamicum to 2.2A
To be Published
2Y37
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BU of 2y37 by Molmil
The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
Descriptor: 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T.N, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V.
Deposit date:2010-12-19
Release date:2011-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
4IXQ
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BU of 4ixq by Molmil
RT fs X-ray diffraction of Photosystem II, dark state
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Alonso-Mori, R, Tran, R, Hattne, J, Gildea, R.J, Echols, N, Gloeckner, C, Hellmich, J, Laksmono, H, Sierra, R.G, Lassalle-Kaiser, B, Koroidov, S, Lampe, A, Han, G, Gul, S, DiFiore, D, Milathianaki, D, Fry, A.R, Miahnahri, A, Schafer, D.W, Messerschmidt, M, Seibert, M.M, Koglin, J.E, Sokaras, D, Weng, T.-C, Sellberg, J, Latimer, M.J, Grosse-Kunstleve, R.W, Zwart, P.H, White, W.E, Glatzel, P, Adams, P.D, Bogan, M.J, Williams, G.J, Boutet, S, Messinger, J, Zouni, A, Sauter, N.K, Yachandra, V.K, Bergmann, U, Yano, J.
Deposit date:2013-01-27
Release date:2013-02-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (5.7 Å)
Cite:Simultaneous femtosecond X-ray spectroscopy and diffraction of photosystem II at room temperature.
Science, 340, 2013
3LVJ
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BU of 3lvj by Molmil
Crystal Structure of E.coli IscS-TusA complex (form 1)
Descriptor: Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE, Sulfurtransferase tusA
Authors:Shi, R, Proteau, A, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2010-02-22
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.435 Å)
Cite:Structural basis for Fe-S cluster assembly and tRNA thiolation mediated by IscS protein-protein interactions.
Plos Biol., 8, 2010
2OMO
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BU of 2omo by Molmil
Putative antibiotic biosynthesis monooxygenase from Nitrosomonas europaea
Descriptor: DUF176
Authors:Osipiuk, J, Evdokimova, E, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-01-22
Release date:2007-01-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:X-ray structure of putative antibiotic biosynthesis monooxygenase from Nitrosomonas europaea.
To be Published
2PT5
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BU of 2pt5 by Molmil
Crystal Structure Of Shikimate Kinase (aq_2177) From Aquifex Aeolicus vf5
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Shikimate kinase
Authors:Jeyakanthan, J, Nithya, N, Shimada, A, Velmurugan, D, Ebihara, A, Shinkai, A, Kuramitsu, S, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-05-08
Release date:2008-05-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure Of Shikimate Kinase (aq_2177) From Aquifex Aeolicus vf5
To be Published
3KEB
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BU of 3keb by Molmil
Thiol peroxidase from Chromobacterium violaceum
Descriptor: CHLORIDE ION, Probable thiol peroxidase, SULFATE ION
Authors:Osipiuk, J, Kagan, O, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-10-25
Release date:2009-11-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystal structure of thiol peroxidase from Chromobacterium violaceum
To be Published
5E72
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BU of 5e72 by Molmil
Crystal structure of the archaeal tRNA m2G/m22G10 methyltransferase (aTrm11) in complex with S-adenosyl-L-methionine (SAM) from Thermococcus kodakarensis
Descriptor: N2, N2-dimethylguanosine tRNA methyltransferase, S-ADENOSYLMETHIONINE
Authors:Hirata, A.
Deposit date:2015-10-11
Release date:2016-07-06
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (1.739 Å)
Cite:Structural and functional analyses of the archaeal tRNA m2G/m22G10 methyltransferase aTrm11 provide mechanistic insights into site specificity of a tRNA methyltransferase that contains common RNA-binding modules.
Nucleic Acids Res., 2016
3KNX
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BU of 3knx by Molmil
HCV NS3 protease domain with P1-P3 macrocyclic ketoamide inhibitor
Descriptor: (2R)-2-{(3S,13S,16aS,17aR,17bS)-13-[({(1S)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-N-prop-2-en-1-ylethanamide, BETA-MERCAPTOETHANOL, HCV NS3 Protease, ...
Authors:Venkatraman, S, Velazquez, F, Wu, W, Blackman, M, Chen, K.X, Bogen, S, Nair, L, Tong, X, Chase, R, Hart, A, Agrawal, S, Pichardo, J, Prongay, A, Cheng, K.-C, Girijavallabhan, V, Piwinski, J, Shih, N.-Y, Njoroge, F.G.
Deposit date:2009-11-12
Release date:2010-10-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and structure-activity relationship of P1-P3 ketoamide derived macrocyclic inhibitors of hepatitis C virus NS3 protease.
J.Med.Chem., 52, 2009
1HKN
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BU of 1hkn by Molmil
A complex between acidic fibroblast growth factor and 5-amino-2-naphthalenesulfonate
Descriptor: 5-AMINO-NAPHTALENE-2-MONOSULFONATE, HEPARIN-BINDING GROWTH FACTOR 1
Authors:Fernandez-Tornero, C, Lozano, R.M, Gimenez-Gallego, G, Romero, A.
Deposit date:2003-03-10
Release date:2004-03-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Leads for Development of New Naphthalenesulfonate Derivatives with Enhanced Antiangiogenic Activity: Crystal Structure of Acidic Fibroblast Growth Factor in Complex with 5-Amino-2-Naphthalenesulfonate
J.Biol.Chem., 278, 2003
5DLW
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BU of 5dlw by Molmil
Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA) and lysophosphatidic acid (LPA)
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid, CALCIUM ION, ...
Authors:Keune, W.J, Heidebrecht, T, Joosten, R.P, Perrakis, A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling.
Nat Commun, 7, 2016
5DNC
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BU of 5dnc by Molmil
Crystal structure of the Asn-bound guinea pig L-asparaginase 1 catalytic domain active site mutant T19A
Descriptor: 1,2-ETHANEDIOL, ASPARAGINE, L-asparaginase
Authors:Schalk, A.M, Lavie, A.
Deposit date:2015-09-09
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Experimental Data in Support of a Direct Displacement Mechanism for Type I/II l-Asparaginases.
J.Biol.Chem., 291, 2016

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