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4YRZ
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BU of 4yrz by Molmil
Crystal Structure of LuxP In Complex With L-xylulofuranose-1,2-borate
Descriptor: Autoinducer 2-binding periplasmic protein LuxP, L-xylulofuranose-1,2-borate
Authors:McDonough, M.A, Sattin, S, Gardner, P.M, Liu, C, Davis, B.G.
Deposit date:2015-03-16
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.571 Å)
Cite:Discovery of Glycomimetic Agonists from a Protocell Metabolism, Proto-natural Product Libraries
To Be Published
1MBV
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BU of 1mbv by Molmil
CRYSTAL STRUCTURE ANALYSIS OF ClpSN HETERODIMER TETRAGONAL FORM
Descriptor: ATP-Dependent clp Protease ATP-Binding Subunit clp A, Protein yljA
Authors:Guo, F, Esser, L, Singh, S.K, Maurizi, M.R, Xia, D.
Deposit date:2002-08-03
Release date:2002-12-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal Structure of the Heterodimeric Complex of the Adaptor, ClpS, with the N-domain of AAA+ Chaperone ClpA
J.Biol.Chem., 277, 2002
4YNG
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BU of 4yng by Molmil
Twinned pyruvate kinase from E. coli in the T-state
Descriptor: Pyruvate kinase I, SULFATE ION
Authors:Donovan, K.A, Dobson, R.C.J.
Deposit date:2015-03-10
Release date:2015-03-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Grappling with anisotropic data, pseudo-merohedral twinning and pseudo-translational noncrystallographic symmetry: a case study involving pyruvate kinase.
Acta Crystallogr D Struct Biol, 72, 2016
1MC4
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BU of 1mc4 by Molmil
Crystal Structure of Aspartate-Semialdehyde dehydrogenase from Vibrio Cholerae El Tor
Descriptor: Aspartate-semialdehyde dehydrogenase
Authors:Blanco, J, Moore, R.A, Kabaleeswaran, V, Viola, R.E.
Deposit date:2002-08-05
Release date:2003-03-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:A Structural Basis for the Mechanism of Aspartate-beta-semialdehyde Dehydrogenase from Vibrio Cholerae
Protein Sci., 12, 2003
4YSE
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BU of 4yse by Molmil
High resolution synchrotron structure of copper nitrite reductase from Alcaligenes faecalis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, COPPER (II) ION, ...
Authors:Fukuda, Y, Tse, K.M, Suzuki, M, Diederichs, K, Hirata, K, Nakane, T, Sugahara, M, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Matsumura, H, Inoue, T, Iwata, S, Mizohata, E.
Deposit date:2015-03-17
Release date:2016-03-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography
Proc.Natl.Acad.Sci.USA, 113, 2016
1MIW
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BU of 1miw by Molmil
Crystal structure of Bacillus stearothermophilus CCA-adding enzyme in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, tRNA CCA-adding enzyme
Authors:Li, F, Xiong, Y, Wang, J, Cho, H.D, Weiner, A.M, Steitz, T.A.
Deposit date:2002-08-23
Release date:2002-12-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of the Bacillus stearothermophilus CCA-adding enzyme and its complexes with ATP or CTP
Cell(Cambridge,Mass.), 111, 2002
4YT7
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BU of 4yt7 by Molmil
Factor VIIa in complex with the inhibitor 2-(2-{(R)-[(4-carbamimidoylphenyl)amino][5-ethoxy-2-fluoro-3-(propan-2-yloxy)phenyl]methyl}-1H-imidazol-4-yl)benzamide
Descriptor: 2-[2-[(R)-[(4-carbamimidoylphenyl)amino]-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)methyl]-1H-imidazol-4-yl]benzamide, CALCIUM ION, Coagulation factor VII (heavy chain), ...
Authors:Wei, A.
Deposit date:2015-03-17
Release date:2015-04-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and synthesis of potent, selective phenylimidazole-based FVIIa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
1MCE
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BU of 1mce by Molmil
PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS
Descriptor: Immunoglobulin lambda-1 light chain, PEPTIDE N-ACETYL-L-GLN-D-PHE-L-HIS-D-PRO-B-ALA-OH
Authors:Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W.
Deposit date:1993-02-25
Release date:1994-01-31
Last modified:2022-04-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Principles and pitfalls in designing site-directed peptide ligands.
Proteins, 16, 1993
4YTC
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BU of 4ytc by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease
Descriptor: N~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
4YTH
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BU of 4yth by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases
Descriptor: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)-D-alaninamide, Tyrosine-protein kinase JAK2
Authors:Ledeboer, M.W, Zuccola, H.J.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
1MJF
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BU of 1mjf by Molmil
PUTATIVE SPERMIDINE SYNTHETASE FROM PYROCOCCUS FURIOSUS PFU-132382
Descriptor: spermidine synthase
Authors:Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2002-08-27
Release date:2002-09-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:PUTATIVE SPERMIDINE SYNTHETASE FROM PYROCOCCUS FURIOSUS PFU-132382
to be published
1MCN
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BU of 1mcn by Molmil
PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS
Descriptor: IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-D-HIS-L-PRO-NH2
Authors:Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W.
Deposit date:1993-02-25
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Principles and pitfalls in designing site-directed peptide ligands.
Proteins, 16, 1993
4YTO
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BU of 4yto by Molmil
Structure of coiled-coil domain of SYCP1
Descriptor: GLYCEROL, Synaptonemal complex protein 1
Authors:park, H.H.
Deposit date:2015-03-18
Release date:2016-03-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of coiled-coil domain of SYCP1
To Be Published
4YTX
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BU of 4ytx by Molmil
Crystal structure of Ups1-Mdm35 complex with PA
Descriptor: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, Mitochondrial distribution and morphology protein 35, Protein UPS1, ...
Authors:Watanabe, Y, Tamura, Y, Kawano, S, Endo, T.
Deposit date:2015-03-18
Release date:2015-08-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and mechanistic insights into phospholipid transfer by Ups1-Mdm35 in mitochondria.
Nat Commun, 6, 2015
1MK7
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BU of 1mk7 by Molmil
CRYSTAL STRUCTURE OF AN INTEGRIN BETA3-TALIN CHIMERA
Descriptor: Integrin Beta3, TALIN
Authors:Garcia-Alvarez, B, De Pereda, J.M, Calderwood, D.A, Ulmer, T.S, Critchley, D, Campbell, I.D, Ginsberg, M.H, Liddington, R.C.
Deposit date:2002-08-28
Release date:2003-01-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Determinants of Integrin Recognition by Talin
Mol.Cell, 11, 2003
4YUG
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BU of 4yug by Molmil
Multiconformer synchrotron model of CypA at 100 K
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S.
Deposit date:2015-03-18
Release date:2015-10-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
1MKM
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BU of 1mkm by Molmil
CRYSTAL STRUCTURE OF THE THERMOTOGA MARITIMA ICLR
Descriptor: FORMIC ACID, IclR transcriptional regulator, ZINC ION
Authors:Kim, Y, Zhang, R.G, Joachimiak, A, Skarina, T, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2002-08-29
Release date:2002-09-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Thermotoga maritima 0065, a member of the IclR transcriptional factor family.
J.Biol.Chem., 277, 2002
4YUL
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BU of 4yul by Molmil
Multiconformer synchrotron model of CypA at 280 K
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S.
Deposit date:2015-03-18
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
1MCZ
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BU of 1mcz by Molmil
BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA COMPLEXED WITH AN INHIBITOR, R-MANDELATE
Descriptor: (R)-MANDELIC ACID, BENZOYLFORMATE DECARBOXYLASE, MAGNESIUM ION, ...
Authors:Polovnikova, E.S, Bera, A.K, Hasson, M.S.
Deposit date:2002-08-06
Release date:2003-02-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Kinetic Analysis of Catalysis by a Thiamin Diphosphate-Dependent Enzyme, Benzoylformate Decarboxylase
Biochemistry, 42, 2003
1MM5
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BU of 1mm5 by Molmil
Solution NMR structure of the outer membrane enzyme PagP in OG micelles
Descriptor: CrcA protein
Authors:Hwang, P.M, Choy, W.-Y, Lo, E.I, Chen, L, Forman-Kay, J.D, Raetz, C.R.H, Prive, G.G, Bishop, R.E, Kay, L.E.
Deposit date:2002-09-03
Release date:2002-09-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure and Dynamics of the Outer Membrane Enzyme PagP by NMR
Proc.Natl.Acad.Sci.USA, 99, 2002
4YUX
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BU of 4yux by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 2H-1,4-benzothiazin-3-amine
Descriptor: 2H-1,4-benzothiazin-3-amine, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, ...
Authors:Amano, Y, Tateishi, Y.
Deposit date:2015-03-19
Release date:2015-09-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase.
Acta Crystallogr.,Sect.D, 71, 2015
4YV7
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CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM MYCOBACTERIUM SMEGMATIS (MSMEI_3018, TARGET EFI-511327) WITH BOUND GLYCEROL
Descriptor: GLYCEROL, Periplasmic binding protein/LacI transcriptional regulator
Authors:Vetting, M.W, Patskovsky, Y, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2015-03-19
Release date:2015-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM MYCOBACTERIUM SMEGMATIS (MSMEI_3018, TARGET EFI-511327) WITH BOUND GLYCEROL
To be published
1MHP
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BU of 1mhp by Molmil
Crystal structure of a chimeric alpha1 integrin I-domain in complex with the Fab fragment of a humanized neutralizing antibody
Descriptor: FAB FRAGMENT, light chain, Fab fragment, ...
Authors:Karpusas, M, Taylor, F, Ferrant, J, Weinreb, P, Garber, E.
Deposit date:2002-08-20
Release date:2003-04-15
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the alpha 1 beta 1 Integrin I Domain in Complex with an Antibody Fab Fragment
J.Mol.Biol., 327, 2003
1MOU
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BU of 1mou by Molmil
Crystal structure of Coral pigment
Descriptor: GFP-like non-fluorescent chromoprotein, IODIDE ION
Authors:Prescott, M, Ling, M, Beddoe, T, Oakley, A.J, Dove, S, Hoegh-Guldberg, O, Devenish, R.J, Rossjohn, J.
Deposit date:2002-09-10
Release date:2003-04-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The 2.2 a crystal structure of a pocilloporin pigment reveals a nonplanar chromophore conformation.
Structure, 11, 2003
4YVS
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BU of 4yvs by Molmil
crystal structure of the virus-like particle of a c4 strain EV71
Descriptor: Capsid protein VP0, Capsid protein VP1, Capsid protein VP3
Authors:Chen, R, Lyu, K.
Deposit date:2015-03-20
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Crystal Structures of Yeast-Produced Enterovirus 71 and Enterovirus 71/Coxsackievirus A16 Chimeric Virus-Like Particles Provide the Structural Basis for Novel Vaccine Design against Hand-Foot-and-Mouth Disease
J.Virol., 89, 2015

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