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7APL
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BU of 7apl by Molmil
tRNA-guanine transglycosylase G87C mutant spin-labeled with MTSL
Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Nguyen, D, Heine, A, Klebe, G.
Deposit date:2020-10-18
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Unraveling a Ligand-Induced Twist of a Homodimeric Enzyme by Pulsed Electron-Electron Double Resonance.
Angew.Chem.Int.Ed.Engl., 60, 2021
5CHV
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BU of 5chv by Molmil
Crystal structure of USP18-ISG15 complex
Descriptor: CHLORIDE ION, SULFATE ION, Ubiquitin-like protein ISG15, ...
Authors:Fritz, G, Basters, A.
Deposit date:2015-07-10
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.005 Å)
Cite:Structural basis of the specificity of USP18 toward ISG15.
Nat. Struct. Mol. Biol., 24, 2017
1BXE
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BU of 1bxe by Molmil
RIBOSOMAL PROTEIN L22 FROM THERMUS THERMOPHILUS
Descriptor: CHLORIDE ION, PROTEIN (RIBOSOMAL PROTEIN L22)
Authors:Unge, J, Aberg, A, Al-Karadaghi, S, Nikulin, A, Nikonov, S, Davydova, N, Nevskaya, N, Garber, M, Liljas, A.
Deposit date:1998-10-02
Release date:1998-10-07
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of ribosomal protein L22 from Thermus thermophilus: insights into the mechanism of erythromycin resistance.
Structure, 6, 1998
1JH6
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BU of 1jh6 by Molmil
Semi-reduced Cyclic Nucleotide Phosphodiesterase from Arabidopsis thaliana
Descriptor: SULFATE ION, cyclic phosphodiesterase
Authors:Hofmann, A, Grella, M, Botos, I, Filipowicz, W, Wlodawer, A.
Deposit date:2001-06-27
Release date:2002-02-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of the semireduced and inhibitor-bound forms of cyclic nucleotide phosphodiesterase from Arabidopsis thaliana.
J.Biol.Chem., 277, 2002
5C9N
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BU of 5c9n by Molmil
Crystal structure of GEMC1 coiled-coil domain
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Geminin coiled-coil domain-containing protein 1
Authors:Caillat, C, Perrakis, A.
Deposit date:2015-06-28
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of the GemC1 coiled coil and its interaction with the Geminin family of coiled-coil proteins.
Acta Crystallogr.,Sect.D, 71, 2015
7L0Q
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BU of 7l0q by Molmil
Structure of NTS-NTSR1-Gi complex in lipid nanodisc, canonical state, with AHD
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G.
Deposit date:2020-12-12
Release date:2021-01-06
Last modified:2021-03-31
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs.
Nat.Struct.Mol.Biol., 28, 2021
5FU2
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BU of 5fu2 by Molmil
The complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition
Descriptor: CALCIUM ION, CBM74-RFGH5, SODIUM ION, ...
Authors:Basle, A, Luis, A.S, Venditto, I, Gilbert, H.J.
Deposit date:2016-01-20
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
5FV1
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BU of 5fv1 by Molmil
Crystal structure of hVEGF in complex with VK domain antibody
Descriptor: VASCULAR ENDOTHELIAL GROWTH FACTOR A, VK DOMAIN ANTIBODY
Authors:Chung, C, Walker, A.
Deposit date:2016-02-02
Release date:2016-02-17
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Novel Interaction Mechanism of a Domain Antibody Based Inhibitor of Human Vascular Endothelial Growth Factor with Greater Potency Than Ranibizumab and Bevacizumab and Improved Capacity Over Aflibercept.
J.Biol.Chem., 291, 2016
7KSC
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BU of 7ksc by Molmil
Crystal structure of Pun g 1.0101
Descriptor: Non-specific lipid-transfer protein, SULFATE ION
Authors:Pote, S, O'Malley, A, Gawlicka-Chruszcz, A, Tuppo, L, Ciardiello, M.A, Chruszcz, M.
Deposit date:2020-11-21
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Characterization of Act c 10.0101 and Pun g 1.0101-Allergens from the Non-Specific Lipid Transfer Protein Family.
Molecules, 26, 2021
1NI9
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BU of 1ni9 by Molmil
2.0 A structure of glycerol metabolism protein from E. coli
Descriptor: Protein glpX, SULFATE ION
Authors:Sanishvili, R, Brunzelle, J, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2002-12-23
Release date:2003-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Biochemical Characterization of the Type II Fructose-1,6-bisphosphatase GlpX from Escherichia coli.
J.Biol.Chem., 284, 2009
1FCZ
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BU of 1fcz by Molmil
ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE PANAGONIST RETINOID BMS181156
Descriptor: 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1
Authors:Klaholz, B.P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE)
Deposit date:2000-07-19
Release date:2000-09-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural basis for isotype selectivity of the human retinoic acid nuclear receptor.
J.Mol.Biol., 302, 2000
5FEG
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BU of 5feg by Molmil
Crystal structure of the dimeric allergen profilin (Hev b 8)
Descriptor: Profilin-2
Authors:Mares-Mejia, I, Rodriguez-Romero, A.
Deposit date:2015-12-17
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structural insights into the IgE mediated responses induced by the allergens Hev b 8 and Zea m 12 in their dimeric forms.
Sci Rep, 6, 2016
7ATJ
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BU of 7atj by Molmil
RECOMBINANT HORSERADISH PEROXIDASE C1A COMPLEX WITH CYANIDE AND FERULIC ACID
Descriptor: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, CALCIUM ION, CYANIDE ION, ...
Authors:Henriksen, A, Smith, A.T, Gajhede, M.
Deposit date:1999-04-26
Release date:2000-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The structures of the horseradish peroxidase C-ferulic acid complex and the ternary complex with cyanide suggest how peroxidases oxidize small phenolic substrates.
J.Biol.Chem., 274, 1999
7KXB
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BU of 7kxb by Molmil
Crystal structure of SARS-CoV-2 Nsp3 Macrodomain complex with PARG329
Descriptor: BETA-MERCAPTOETHANOL, N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea, Non-structural protein 3, ...
Authors:Arvai, A, Brosey, C.A, Bommagani, S, Link, T, Jones, D.E, Ahmed, Z, Tainer, J.A.
Deposit date:2020-12-03
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
6EY0
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BU of 6ey0 by Molmil
N-terminal part (residues 30-212) of PorM with the llama nanobody nb01
Descriptor: T9SS component cytoplasmic membrane protein PorM, llama nanobody nb01
Authors:Leone, P, Roche, J, Cambillau, C, Roussel, A.
Deposit date:2017-11-10
Release date:2018-02-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Type IX secretion system PorM and gliding machinery GldM form arches spanning the periplasmic space.
Nat Commun, 9, 2018
1FEQ
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BU of 1feq by Molmil
NMR SOLUTION STRUCTURE OF THE ANTICODON OF TRNA(LYS3) WITH T6A MODIFICATION AT POSITION 37
Descriptor: 5'-R(*GP*CP*AP*GP*AP*CP*UP*UP*UP*UP*(T6A)P*AP*UP*CP*UP*GP*C)-3'
Authors:Stuart, J.W, Gdaniec, Z, Guenther, R.H, Marszalek, M, Sochacka, E, Malkiewicz, A, Agris, P.F.
Deposit date:2000-07-21
Release date:2000-11-22
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Functional anticodon architecture of human tRNALys3 includes disruption of intraloop hydrogen bonding by the naturally occurring amino acid modification, t6A.
Biochemistry, 39, 2000
1XB7
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BU of 1xb7 by Molmil
X-ray structure of ERRalpha LBD in complex with a PGC-1alpha peptide at 2.5A resolution
Descriptor: IODIDE ION, Peroxisome proliferator activated receptor gamma coactivator 1 alpha, Steroid hormone receptor ERR1
Authors:Kallen, J, Schlaeppi, J.M, Bitsch, F, Filipuzzi, I, Schilb, A, Riou, V, Graham, A, Strauss, A, Geiser, M, Fournier, B.
Deposit date:2004-08-30
Release date:2004-09-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Evidence for Ligand-independent Transcriptional Activation of the Human Estrogen-related Receptor {alpha} (ERR{alpha}): CRYSTAL STRUCTURE OF ERR{alpha} LIGAND BINDING DOMAIN IN COMPLEX WITH PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR COACTIVATOR-1{alpha}
J.Biol.Chem., 279, 2004
3KK0
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BU of 3kk0 by Molmil
Crystal structure of partially folded intermediate state of peptidyl-tRNA hydrolase from Mycobacterium smegmatis
Descriptor: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Kumar, A, Singh, N, Yadav, R, Sharma, S, Arora, A, Singh, T.P.
Deposit date:2009-11-04
Release date:2010-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structures of Fully-Folded Native and Partially-Folded Intermediate States of Peptidyl-tRNA Hydrolase from Mycobacterium smegmatis
To be Published
5FBS
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BU of 5fbs by Molmil
Crystal structure of rifampin phosphotransferase RPH-Lm from Listeria monocytogenes in complex with ADP and magnesium
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoenolpyruvate synthase
Authors:Stogios, P.J, Wawrzak, Z, Skarina, T, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-12-14
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Rifampin phosphotransferase is an unusual antibiotic resistance kinase.
Nat Commun, 7, 2016
7AIA
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BU of 7aia by Molmil
Complex of human GDAP1 with hexadecanedioic acid
Descriptor: ETHANOL, GLYCEROL, Ganglioside-induced differentiation-associated protein 1, ...
Authors:Nguyen, G.T.T, Sutinen, A, Kursula, P.
Deposit date:2020-09-26
Release date:2021-02-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Complete Dimeric Human GDAP1 Core Domain Provides Insights into Ligand Binding and Clustering of Disease Mutations.
Front Mol Biosci, 7, 2020
1JOF
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BU of 1jof by Molmil
Neurospora crassa 3-carboxy-cis,cis-mucoante lactonizing enzyme
Descriptor: BETA-MERCAPTOETHANOL, CARBOXY-CIS,CIS-MUCONATE CYCLASE, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ...
Authors:Kajander, T, Merckel, M.C, Thompson, A, Deacon, A.M, Mazur, P, Kozarich, J.W, Goldman, A.
Deposit date:2001-07-28
Release date:2002-04-12
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure of Neurospora crassa 3-carboxy-cis,cis-muconate lactonizing enzyme, a beta propeller cycloisomerase.
Structure, 10, 2002
7AVY
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BU of 7avy by Molmil
MerTK kinase domain in complex with quinazoline-based inhbitor
Descriptor: N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine, SULFATE ION, Tyrosine-protein kinase Mer
Authors:Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S.
Deposit date:2020-11-06
Release date:2021-03-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
7AVX
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BU of 7avx by Molmil
MerTK kinase domain in complex with NPS-1034
Descriptor: 1-(4-fluorophenyl)-N-[3-fluoro-4-[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide, Tyrosine-protein kinase Mer
Authors:Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S.
Deposit date:2020-11-06
Release date:2021-03-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
1FSG
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BU of 1fsg by Molmil
TOXOPLASMA GONDII HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH 9-DEAZAGUANINE, ALPHA-D-5-PHOSPHORIBOSYL-1-PYROPHOSPHATE (PRPP) AND TWO MG2+ IONS
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 9-DEAZAGUANINE, HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, ...
Authors:Heroux, A, White, E.L, Ross, L.J, Kuzin, A.P, Borhani, D.W.
Deposit date:2000-09-08
Release date:2000-12-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Substrate deformation in a hypoxanthine-guanine phosphoribosyltransferase ternary complex: the structural basis for catalysis.
Structure Fold.Des., 8, 2000
7AW2
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BU of 7aw2 by Molmil
MerTK kinase domain with type 1.5 inhibitor from a DNA-encoded library
Descriptor: 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine, Tyrosine-protein kinase Mer
Authors:Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S.
Deposit date:2020-11-06
Release date:2021-03-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021

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