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5BS0
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BU of 5bs0 by Molmil
MAGE-A3 Reactive TCR in complex with Titin Epitope in HLA-A1
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Raman, M.C.C, Rizkallah, P.J, Simmons, R, Donellan, Z, Dukes, J, Bossi, G, LeProvost, G, Mahon, T, Hickman, E, Lomax, M, Oates, J, Hassan, N, Vuidepot, A, Sami, M, Cole, D.K, Jakobsen, B.K.
Deposit date:2015-06-01
Release date:2016-03-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Direct molecular mimicry enables off-target cardiovascular toxicity by an enhanced affinity TCR designed for cancer immunotherapy.
Sci Rep, 6, 2016
1T2I
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BU of 1t2i by Molmil
T76W mutant of RNase Sa from Streptomyces aureofaciens
Descriptor: Guanyl-specific ribonuclease Sa
Authors:Urbanikova, L, Sevcik, J.
Deposit date:2004-04-21
Release date:2004-12-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Contribution of single tryptophan residues to the fluorescence and stability of ribonuclease sa.
Biophys.J., 87, 2004
4V1S
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BU of 4v1s by Molmil
Structure of the GH76 alpha-mannanase BT2949 from Bacteroides thetaiotaomicron
Descriptor: ALPHA-1,6-MANNANASE, GLYCEROL
Authors:Thompson, A.J, Cuskin, F, Spears, R.J, Dabin, J, Turkenburg, J.P, Gilbert, H.J, Davies, G.J.
Deposit date:2014-10-02
Release date:2015-02-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the Gh76 Alpha-Mannanase Homolog, Bt2949, from the Gut Symbiont Bacteroides Thetaiotaomicron
Acta Crystallogr.,Sect.D, 71, 2015
4WAJ
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BU of 4waj by Molmil
H. influenzae beta-carbonic anhydase variant P48S/A49P
Descriptor: Carbonic anhydrase 2, SULFATE ION, ZINC ION
Authors:Rowlett, R.S, Hoffmann, K.M.
Deposit date:2014-08-29
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift.
Biochemistry, 54, 2015
1SZ2
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BU of 1sz2 by Molmil
Crystal structure of E. coli glucokinase in complex with glucose
Descriptor: Glucokinase, beta-D-glucopyranose
Authors:Lunin, V.V, Li, Y, Schrag, J.D, Iannuzzi, P, Matte, A, Cygler, M.
Deposit date:2004-04-02
Release date:2004-11-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of Escherichia coli ATP-dependent glucokinase and its complex with glucose
J.Bacteriol., 186, 2004
4WAK
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BU of 4wak by Molmil
H. influenzae beta-carbonic anhydrase variant W39V/G41A
Descriptor: BICARBONATE ION, Carbonic anhydrase 2, POTASSIUM ION, ...
Authors:Hoffmann, K.M, Rowlett, R.S.
Deposit date:2014-08-29
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift.
Biochemistry, 54, 2015
6D43
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BU of 6d43 by Molmil
CHARACTERIZATION OF HUMAN TRIOSEPHOSPHATE ISOMERASE S-NITROSYLATION
Descriptor: ISOPROPYL ALCOHOL, Triosephosphate isomerase
Authors:Romero, J.M, Carrizo, M.E, Curtino, J.M.
Deposit date:2018-04-17
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Characterization of human triosephosphate isomerase S-nitrosylation.
Nitric Oxide, 77, 2018
4WAM
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BU of 4wam by Molmil
H. influenzae beta-carbonic anhydrase variant W39V/G41A/P48S/A49P
Descriptor: PHOSPHATE ION, ZINC ION, beta-carbonic anhydrase
Authors:Rowlett, R.S, Hoffman, K.M.
Deposit date:2014-08-29
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift.
Biochemistry, 54, 2015
4WLA
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BU of 4wla by Molmil
Time Resolved Serial Femtosecond Crystallography Captures High Resolution Intermediates of PYP
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Tenboer, J, Schmidt, M.
Deposit date:2014-10-06
Release date:2014-12-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Time-resolved serial crystallography captures high-resolution intermediates of photoactive yellow protein.
Science, 346, 2014
1UA2
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BU of 1ua2 by Molmil
Crystal Structure of Human CDK7
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell division protein kinase 7
Authors:Lolli, G, Lowe, E.D, Brown, N.R, Johnson, L.N.
Deposit date:2004-08-11
Release date:2004-12-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:The Crystal Structure of Human CDK7 and Its Protein Recognition Properties
Structure, 12, 2004
6WE2
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BU of 6we2 by Molmil
Human PARP14 (ARTD8), catalytic fragment in complex with RBN012759
Descriptor: 1,2-ETHANEDIOL, 7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one, Isoform 1 of Protein mono-ADP-ribosyltransferase PARP14
Authors:Swinger, K.K, Schenkel, L.B, Kuntz, K.W.
Deposit date:2020-04-01
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants.
Cell Chem Biol, 28, 2021
6UDC
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BU of 6udc by Molmil
Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions
Descriptor: BIOTIN, Streptavidin
Authors:Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K.
Deposit date:2019-09-19
Release date:2020-09-23
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid.
Biochemistry, 60, 2021
4WL9
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BU of 4wl9 by Molmil
Time Resolved Serial Femtosecond Crystallography Captures High Resolution Intermediates of PYP
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Tenboer, J, Schmidt, M.
Deposit date:2014-10-06
Release date:2014-12-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Time-resolved serial crystallography captures high-resolution intermediates of photoactive yellow protein.
Science, 346, 2014
6UC3
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BU of 6uc3 by Molmil
Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions
Descriptor: BIOTIN, Streptavidin
Authors:Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K.
Deposit date:2019-09-13
Release date:2020-09-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid.
Biochemistry, 60, 2021
6UD1
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BU of 6ud1 by Molmil
Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions
Descriptor: CHLORIDE ION, Streptavidin
Authors:Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K.
Deposit date:2019-09-18
Release date:2021-02-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid.
Biochemistry, 60, 2021
7KL8
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BU of 7kl8 by Molmil
Structure of F420 binding protein Rv1558 from Mycobacterium tuberculosis with F420 bound
Descriptor: COENZYME F420, COENZYME F420-3, Deazaflavin-dependent nitroreductase, ...
Authors:Lee, B.M, Tan, L.L, Jackson, C.J.
Deposit date:2020-10-29
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.469 Å)
Cite:Potency boost of a Mycobacterium tuberculosis dihydrofolate reductase inhibitor by multienzyme F 420 H 2 -dependent reduction.
Proc.Natl.Acad.Sci.USA, 118, 2021
2Z98
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BU of 2z98 by Molmil
The crystal structure of AzoR (azoreductase) from Escherichia coli: Oxidized AzoR in tetragonal crystals (The resolution has improved from 1.8 (1v4b) to 1.4 angstrom)
Descriptor: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase
Authors:Ito, K.
Deposit date:2007-09-18
Release date:2008-03-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Expansion of Substrate Specificity and Catalytic Mechanism of Azoreductase by X-ray Crystallography and Site-directed Mutagenesis
J.Biol.Chem., 283, 2008
2Z9C
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BU of 2z9c by Molmil
The crystal structure of AzoR (azoreductase) from Escherichia coli: AzoR in complex with dicoumarol
Descriptor: BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase, ...
Authors:Ito, K.
Deposit date:2007-09-18
Release date:2008-03-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Expansion of Substrate Specificity and Catalytic Mechanism of Azoreductase by X-ray Crystallography and Site-directed Mutagenesis
J.Biol.Chem., 283, 2008
5LU6
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BU of 5lu6 by Molmil
Heptose isomerase mutant - H64Q
Descriptor: 1,2-ETHANEDIOL, D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, GLYCEROL, ...
Authors:Vivoli, M, Harmer, N.J, Pang, J.
Deposit date:2016-09-08
Release date:2017-12-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Sci Rep, 7, 2017
2YDE
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BU of 2yde by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH S-2-HYDROXYGLUTARATE
Descriptor: (2S)-2-HYDROXYPENTANEDIOIC ACID, FE (III) ION, GLYCEROL, ...
Authors:Chowdhury, R, Clifton, I.J, Schofield, C.J.
Deposit date:2011-03-18
Release date:2011-03-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases.
EMBO Rep., 12, 2011
2YBP
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BU of 2ybp by Molmil
JMJD2A COMPLEXED WITH R-2-HYDROXYGLUTARATE AND HISTONE H3K36me3 PEPTIDE (30-41)
Descriptor: (2R)-2-hydroxypentanedioic acid, GLYCEROL, HISTONE H3.1T, ...
Authors:Chowdhury, R, McDonough, M.A, Schofield, C.J.
Deposit date:2011-03-09
Release date:2011-03-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases.
EMBO Rep., 12, 2011
4ABI
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BU of 4abi by Molmil
Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (PtA)SFTI-1(1,14), that was 1,4-disubstituted with a 1,2,3- trizol to mimic a trans amide bond
Descriptor: CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ...
Authors:Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H.
Deposit date:2011-12-08
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations
Angew.Chem.Int.Ed.Engl., 51, 2012
7L05
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BU of 7l05 by Molmil
Complex of novel maytansinoid M24 bound to T2R-TTL (two tubulin alpha/beta heterodimers, RB3 stathmin-like domain, and tubulin tyrosine ligase)
Descriptor: (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methylamino)propanoyl]amino}propanoate (non-preferred name), 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Franklin, M.C.
Deposit date:2020-12-11
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:A Biparatopic Antibody-Drug Conjugate to Treat MET-Expressing Cancers, Including Those that Are Unresponsive to MET Pathway Blockade.
Mol.Cancer Ther., 20, 2021
2Z9D
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BU of 2z9d by Molmil
The crystal structure of AzoR (azoreductase) from Escherichia coli: Oxidized AzoR in orthorhombic crystals
Descriptor: FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase
Authors:Ito, K.
Deposit date:2007-09-18
Release date:2008-03-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Expansion of Substrate Specificity and Catalytic Mechanism of Azoreductase by X-ray Crystallography and Site-directed Mutagenesis
J.Biol.Chem., 283, 2008
2YC0
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BU of 2yc0 by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH R-2-HYDROXYGLUTARATE
Descriptor: (2R)-2-hydroxypentanedioic acid, FE (II) ION, GLYCEROL, ...
Authors:Chowdhury, R, Clifton, I.J, Schofield, C.J.
Deposit date:2011-03-10
Release date:2011-03-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases.
EMBO Rep., 12, 2011

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