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5HHO
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BU of 5hho by Molmil
Crystal Structure of the JM22 TCR in complex with HLA-A*0201 in complex with M1-G4E
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Gras, S, Josephs, T.M, Rossjohn, J.
Deposit date:2016-01-11
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Molecular basis for universal HLA-A*0201-restricted CD8+ T-cell immunity against influenza viruses.
Proc.Natl.Acad.Sci.USA, 113, 2016
5VLM
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BU of 5vlm by Molmil
Crystal structure of EilR in complex with crystal violet
Descriptor: CRYSTAL VIOLET, Regulatory protein TetR
Authors:Pereira, J.H, Ruegg, T.L, Chen, J, Novichkov, P, DeGiovani, A, Tomaleri, G.P, Singer, S, Simmons, B, Thelen, M, Adams, P.D.
Deposit date:2017-04-25
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.403 Å)
Cite:Jungle Express is a versatile repressor system for tight transcriptional control.
Nat Commun, 9, 2018
7UWT
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BU of 7uwt by Molmil
Structure of Oxygen-Insensitive NAD(P)H-dependent Nitroreductase NfsB_Vv F70A/F108Y (NTR 2.0) in complex with FMN at 1.85 Angstroms resolution
Descriptor: ACETATE ION, Dihydropteridine reductase, FLAVIN MONONUCLEOTIDE, ...
Authors:Sharrock, A.V, Arcus, V, Mumm, J.S, Ackerley, D.F.
Deposit date:2022-05-03
Release date:2022-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Crystal Structure of Engineered Nitroreductase NTR 2.0 and Impact of F70A and F108Y Substitutions on Substrate Specificity.
Int J Mol Sci, 24, 2023
5FI3
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BU of 5fi3 by Molmil
HETEROYOHIMBINE SYNTHASE THAS1 FROM CATHARANTHUS ROSEUS - COMPLEX WITH NADP+
Descriptor: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Tetrahydroalstonine synthase, ...
Authors:Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E.
Deposit date:2015-12-22
Release date:2016-07-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
3M4B
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BU of 3m4b by Molmil
A Zn-mediated tetrahedral protein lattice cage
Descriptor: ACETATE ION, PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ...
Authors:Tezcan, F.A, Ni, T.W.
Deposit date:2010-03-10
Release date:2011-01-12
Last modified:2021-10-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural characterization of a microperoxidase inside a metal-directed protein cage.
Angew.Chem.Int.Ed.Engl., 49, 2010
5TXS
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BU of 5txs by Molmil
Crystal structure of an anaplastic lymphoma kinase-derived neuroblastoma tumor antigen bound to the Human Major Histocompatibility Complex Class I molecule HLA-B*1501
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-15 alpha chain, ...
Authors:Toor, J, Rao, A.A, Salama, S, Tripathi, S, Haussler, D, Sgourakis, N.G.
Deposit date:2016-11-17
Release date:2017-11-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:A Recurrent Mutation in Anaplastic Lymphoma Kinase with Distinct Neoepitope Conformations.
Front Immunol, 9, 2018
5FIH
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BU of 5fih by Molmil
SACCHAROMYCES CEREVISIAE GAS2P (E176Q MUTANT) IN COMPLEX WITH LAMINARITETRAOSE AND LAMINARIPENTAOSE
Descriptor: 1,3-BETA-GLUCANOSYLTRANSFERASE, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose
Authors:Raich, L, Borodkin, V, van Aalten, D.M.F, Hurtado-Guerrero, R, Rovira, C.
Deposit date:2015-09-25
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Trapped Covalent Intermediate of a Glycoside Hydrolase on the Pathway to Transglycosylation. Insights from Experiments and Quantum Mechanics/Molecular Mechanics Simulations.
J. Am. Chem. Soc., 138, 2016
5CXI
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BU of 5cxi by Molmil
Crystal structure of Mycobacterium tuberculosis KstR in complex with 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA (4-BNC-CoA)
Descriptor: 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA, HTH-type transcriptional repressor KstR
Authors:Ho, N.A.T, Dawes, S, Kendall, S, Casabon, I, Crowe, A.M, Baker, E.N, Eltis, L.D, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-07-29
Release date:2016-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
3M4C
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BU of 3m4c by Molmil
A Zn-mediated tetrahedral protein lattice cage encapsulating a microperoxidase
Descriptor: ACETATE ION, Heme-Peptide Fragment, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tezcan, F.A, Ni, T.W.
Deposit date:2010-03-10
Release date:2011-01-12
Last modified:2021-10-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterization of a microperoxidase inside a metal-directed protein cage.
Angew.Chem.Int.Ed.Engl., 49, 2010
1G4H
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BU of 1g4h by Molmil
LINB COMPLEXED WITH BUTAN-1-OL
Descriptor: 1,3,4,6-TETRACHLORO-1,4-CYCLOHEXADIENE HYDROLASE, 1-BUTANOL, CALCIUM ION, ...
Authors:Oakley, A.J, Prokop, Z, Bohac, M, Kmunicek, J, Jedlicka, T, Monincova, M, Kuta-Smatanova, I, Nagata, Y, Damborsky, J, Wilce, M.C.J.
Deposit date:2000-10-27
Release date:2001-10-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Exploring the structure and activity of haloalkane dehalogenase from Sphingomonas paucimobilis UT26: evidence for product- and water-mediated inhibition.
Biochemistry, 41, 2002
2VYI
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BU of 2vyi by Molmil
Crystal Structure of the TPR domain of Human SGT
Descriptor: SGTA PROTEIN
Authors:Dutta, S, Tan, Y.J.
Deposit date:2008-07-24
Release date:2008-08-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Functional Characterization of Human Sgt and its Interaction with Vpu of the Human Immunodeficiency Virus Type 1.
Biochemistry, 47, 2008
5G1Q
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BU of 5g1q by Molmil
Compressed conformation of Francisella tularensis ClpP at 2.84 A
Descriptor: CLP PROTEASE PROTEOLYTIC SUBUNIT P
Authors:Diaz-Saez, L, Hunter, W.N.
Deposit date:2016-03-29
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Open and compressed conformations of Francisella tularensis ClpP.
Proteins, 85, 2017
1Z2P
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BU of 1z2p by Molmil
Inositol 1,3,4-trisphosphate 5/6-Kinase in complex with Mg2+/AMP-PCP/Ins(1,3,4)P3
Descriptor: (1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-INOSITOL, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Miller, G.J, Wilson, M.P, Majerus, P.W, Hurley, J.H.
Deposit date:2005-03-08
Release date:2005-04-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Specificity determinants in inositol polyphosphate synthesis: crystal structure of inositol 1,3,4-trisphosphate 5/6-kinase.
Mol.Cell, 18, 2005
3J2T
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BU of 3j2t by Molmil
An improved model of the human apoptosome
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Apoptotic protease-activating factor 1, Cytochrome c, ...
Authors:Yuan, S, Topf, M, Akey, C.W.
Deposit date:2012-12-23
Release date:2013-04-10
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (9.5 Å)
Cite:Changes in apaf-1 conformation that drive apoptosome assembly.
Biochemistry, 52, 2013
5IG5
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BU of 5ig5 by Molmil
Crystal structure of N. vectensis CaMKII-B hub at pH 4.2
Descriptor: CaMKII-B hub
Authors:Bhattacharyya, M, Gee, C.L, Barros, T, Kuriyan, J.
Deposit date:2016-02-26
Release date:2016-03-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular mechanism of activation-triggered subunit exchange in Ca(2+)/calmodulin-dependent protein kinase II.
Elife, 5, 2016
5ENL
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BU of 5enl by Molmil
INHIBITION OF ENOLASE: THE CRYSTAL STRUCTURES OF ENOLASE-CA2+-PHOSPHOGLYCERATE AND ENOLASE-ZN2+-PHOSPHOGLYCOLATE COMPLEXES AT 2.2-ANGSTROMS RESOLUTION
Descriptor: 2-PHOSPHOGLYCERIC ACID, CALCIUM ION, ENOLASE
Authors:Lebioda, L, Stec, B.
Deposit date:1990-11-13
Release date:1992-04-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibition of enolase: the crystal structures of enolase-Ca2(+)- 2-phosphoglycerate and enolase-Zn2(+)-phosphoglycolate complexes at 2.2-A resolution.
Biochemistry, 30, 1991
3J8H
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BU of 3j8h by Molmil
Structure of the rabbit ryanodine receptor RyR1 in complex with FKBP12 at 3.8 Angstrom resolution
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1A, Ryanodine receptor 1, ZINC ION
Authors:Yan, Z, Bai, X, Yan, C, Wu, J, Scheres, S.H.W, Shi, Y, Yan, N.
Deposit date:2014-10-26
Release date:2014-12-10
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of the rabbit ryanodine receptor RyR1 at near-atomic resolution.
Nature, 517, 2015
5TRZ
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BU of 5trz by Molmil
Crystal structure of MHC-I H2-KD complexed with peptides of Mycobacterial tuberculosis (YQSGLSIVM)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Jiang, J, Natarajan, K, Margulies, D.
Deposit date:2016-10-27
Release date:2018-05-09
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.247 Å)
Cite:MHC-restricted Ag85B-specific CD8+T cells are enhanced by recombinant BCG prime and DNA boost immunization in mice.
Eur.J.Immunol., 2019
2N98
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BU of 2n98 by Molmil
Solution structure of acyl carrier protein LipD from Actinoplanes friuliensis
Descriptor: Acyl carrier protein
Authors:Paul, S, Ishida, H, Liu, Z, Nguyen, L.T, Vogel, H.J.
Deposit date:2015-11-10
Release date:2016-11-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and dynamic characterization of a freestanding acyl carrier protein involved in the biosynthesis of cyclic lipopeptide antibiotics.
Protein Sci., 26, 2017
5Z7O
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BU of 5z7o by Molmil
SmChiA sliding-intermediate with chitotetraose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A, GLYCEROL
Authors:Nakamura, A, Iino, R.
Deposit date:2018-01-30
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Processive chitinase is Brownian monorail operated by fast catalysis after peeling rail from crystalline chitin.
Nat Commun, 9, 2018
7W91
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BU of 7w91 by Molmil
Residues 440-490 of centrosomal protein 63
Descriptor: Centrosomal protein of 63 kDa
Authors:Yun, H.Y, Ku, B.
Deposit date:2021-12-09
Release date:2023-07-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.292 Å)
Cite:Architectural basis for cylindrical self-assembly governing Plk4-mediated centriole duplication in human cells.
Commun Biol, 6, 2023
6A4W
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BU of 6a4w by Molmil
AcrR from Mycobacterium tuberculosis
Descriptor: GLYCEROL, SODIUM ION, SULFATE ION, ...
Authors:Kang, S.M, Kim, D.H.
Deposit date:2018-06-21
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.587 Å)
Cite:The crystal structure of AcrR from Mycobacterium tuberculosis reveals a one-component transcriptional regulation mechanism.
Febs Open Bio, 9, 2019
5A4N
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BU of 5a4n by Molmil
Crystal structure of BPSL1147, a PC4 homolog from Burkholderia pseudomallei K96243 (tetragonal crystal form)
Descriptor: BPSL1147, CHLORIDE ION
Authors:Werten, S, Bayer, N, Hinrichs, W.
Deposit date:2015-06-11
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural Analysis and Knock-Out of a Burkholderia Pseudomallei Homolog of the Eukaryotic Transcription Coactivator Pc4.
Gene, 557, 2016
5VZ5
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BU of 5vz5 by Molmil
Crystal structure of an anaplastic lymphoma kinase-derived neuroblastoma tumor antigen bound to the Human Major Histocompatibility Complex Class I molecule HLA-B*1501
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Toor, J, Rao, A.A, Salama, S, Tripathi, S, Haussler, D, Sgourakis, N.G.
Deposit date:2017-05-26
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5901 Å)
Cite:A Recurrent Mutation in Anaplastic Lymphoma Kinase with Distinct Neoepitope Conformations.
Front Immunol, 9, 2018
5A8X
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BU of 5a8x by Molmil
Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neutrophil elastase, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:vonNussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J.
Deposit date:2015-07-17
Release date:2016-08-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model.
ChemMedChem, 11, 2016

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