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2IIF
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BU of 2iif by Molmil
single chain Integration Host Factor mutant protein (scIHF2-K45aE) in complex with DNA
Descriptor: DNA (5'-D(*DGP*DCP*DTP*DTP*DAP*DTP*DCP*DAP*DAP*DTP*DTP*DTP*DGP*DTP*DTP*DGP*DCP*DAP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DCP*DAP*DAP*DAP*DAP*DAP*DAP*DGP*DCP*DAP*DTP*DT)-3'), Integration host factor, ...
Authors:Bao, Q, Droege, P, Davey, C.A.
Deposit date:2006-09-28
Release date:2007-02-20
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:A Divalent Metal-mediated Switch Controlling Protein-induced DNA Bending
J.Mol.Biol., 367, 2007
2ARB
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BU of 2arb by Molmil
Pterocarpus angolensis Lectin (PAL) In Complex With The GlcNAc(beta1-2)Man Disaccharide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, CALCIUM ION, MANGANESE (II) ION, ...
Authors:Buts, L, Garcia-Pino, A, Imberty, A, Amiot, N, Boons, G.-J, Versees, W, Lah, J, Beeckmans, S, Wyns, L, Loris, R.
Deposit date:2005-08-19
Release date:2006-08-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the recognition of complex-type biantennary oligosaccharides by Pterocarpus angolensis lectin.
Febs J., 273, 2006
6FQ3
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BU of 6fq3 by Molmil
Crystal structure of Danio rerio Lin41 filamin-NHL domains in complex with lin-29A 5'UTR 13mer RNA
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase TRIM71, RNA (5'-R(*GP*GP*AP*GP*UP*CP*CP*AP*AP*CP*UP*CP*C)-3')
Authors:Kumari, P, Aeschimann, F, Gaidatzis, D, Keusch, J.J, Ghosh, P, Neagu, A, Pachulska-Wieczorek, K, Bujnicki, J.M, Gut, H, Grosshans, H, Ciosk, R.
Deposit date:2018-02-13
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Evolutionary plasticity of the NHL domain underlies distinct solutions to RNA recognition.
Nat Commun, 9, 2018
6MOE
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BU of 6moe by Molmil
Monomeric DARPin E2 complex with EpoR
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E2 DARPin, ...
Authors:Jude, K.M, Mohan, K, Garcia, K.C.
Deposit date:2018-10-04
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.091 Å)
Cite:Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
5TLI
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BU of 5tli by Molmil
THERMOLYSIN (60% ISOPROPANOL SOAKED CRYSTALS)
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, ISOPROPYL ALCOHOL, ...
Authors:English, A.C, Done, S.H, Groom, C.R, Hubbard, R.E.
Deposit date:1998-10-29
Release date:2000-03-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Locating interaction sites on proteins: the crystal structure of thermolysin soaked in 2% to 100% isopropanol.
Proteins, 37, 1999
2FFW
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BU of 2ffw by Molmil
Solution structure of the RBCC/TRIM B-box1 domain of human MID1: B-box with a RING
Descriptor: Midline-1, ZINC ION
Authors:Massiah, M.A, Simmons, B.N, Short, K.M, Cox, T.C.
Deposit date:2005-12-20
Release date:2006-05-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of the RBCC/TRIM B-box1 Domain of Human MID1: B-box with a RING.
J.Mol.Biol., 358, 2006
7QI8
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BU of 7qi8 by Molmil
CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE AND INHIBITOR
Descriptor: 2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one, LYSINE, Lysine--tRNA ligase 1
Authors:Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S.
Deposit date:2021-12-14
Release date:2022-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
4DG8
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BU of 4dg8 by Molmil
Structure of PA1221, an NRPS protein containing adenylation and PCP domains
Descriptor: (R,R)-2,3-BUTANEDIOL, ADENOSINE MONOPHOSPHATE, PA1221
Authors:Mitchell, C.A, Shi, C, Aldrich, C.C, Gulick, A.M.
Deposit date:2012-01-25
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of PA1221, a Nonribosomal Peptide Synthetase Containing Adenylation and Peptidyl Carrier Protein Domains.
Biochemistry, 51, 2012
7QHN
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BU of 7qhn by Molmil
CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE and an inhibitor
Descriptor: 6-azanyl-2-cyclohexyl-4-fluoranyl-1~{H}-pyrrolo[3,4-c]pyridin-3-one, LYSINE, Lysine--tRNA ligase 1
Authors:Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S.
Deposit date:2021-12-13
Release date:2022-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
7QH8
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BU of 7qh8 by Molmil
CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE
Descriptor: GLYCEROL, LYSINE, Lysine--tRNA ligase 1
Authors:Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S.
Deposit date:2021-12-10
Release date:2022-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
6GO6
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BU of 6go6 by Molmil
TdT chimera (Loop1 of pol mu) - ternary complex with downstream dsDNA
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*AP*AP*C)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*GP*GP*C)-3'), ...
Authors:Loc'h, J, Gerodimos, C.A, Rosario, S, Lieber, M.R, Delarue, M.
Deposit date:2018-06-01
Release date:2019-06-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural evidence for an intransbase selection mechanism involving Loop1 in polymerase mu at an NHEJ double-strand break junction.
J.Biol.Chem., 294, 2019
7BT5
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BU of 7bt5 by Molmil
Crystal structure of plasmodium LysRS complexing with an antitumor compound
Descriptor: LYSINE, Lysine--tRNA ligase, N4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
Authors:Zhou, J, Wang, J, Fang, P.
Deposit date:2020-03-31
Release date:2020-09-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Inhibition of Plasmodium falciparum Lysyl-tRNA synthetase via an anaplastic lymphoma kinase inhibitor.
Nucleic Acids Res., 48, 2020
6FQL
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BU of 6fql by Molmil
Crystal structure of Danio rerio Lin41 filamin-NHL domains in complex with mab-10 3'UTR 13mer RNA
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase TRIM71, RNA (5'-R(*UP*GP*CP*AP*UP*UP*UP*AP*AP*UP*GP*CP*A)-3')
Authors:Kumari, P, Aeschimann, F, Gaidatzis, D, Keusch, J.J, Ghosh, P, Neagu, A, Pachulska-Wieczorek, K, Bujnicki, J.M, Gut, H, Grosshans, H, Ciosk, R.
Deposit date:2018-02-14
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Evolutionary plasticity of the NHL domain underlies distinct solutions to RNA recognition.
Nat Commun, 9, 2018
5IRQ
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BU of 5irq by Molmil
Human cytochrome P450 17A1 bound to inhibitors (R)- and (S)- orteronel
Descriptor: (R)-orteronel, (S)-orteronel, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Scott, E.E, Petrunak, E.M.
Deposit date:2016-03-14
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Structural and Functional Evaluation of Clinically Relevant Inhibitors of Steroidogenic Cytochrome P450 17A1.
Drug Metab. Dispos., 45, 2017
5D6P
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BU of 5d6p by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, DNA gyrase subunit B, ...
Authors:Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
Deposit date:2015-08-12
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
6HF4
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BU of 6hf4 by Molmil
The structure of BoMan26B, a GH26 beta-mannanase from Bacteroides ovatus, complexed with G1M4
Descriptor: CALCIUM ION, CHLORIDE ION, Glycosyl hydrolase family 26, ...
Authors:Bagenholm, V, Logan, D.T, Stalbrand, H.
Deposit date:2018-08-21
Release date:2019-04-24
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.781 Å)
Cite:A surface-exposed GH26 beta-mannanase fromBacteroides ovatus: Structure, role, and phylogenetic analysis ofBoMan26B.
J.Biol.Chem., 294, 2019
4AMZ
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BU of 4amz by Molmil
PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND INHIBITOR IC-2
Descriptor: (5R)-N-benzyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide, GLYCEROL, PROLYL ENDOPEPTIDASE
Authors:Kaszuba, K, Rog, T, Danne, R, Canning, P, Fulop, V, Juhasz, T, Szeltner, Z, St-Pierre, J.F, Garcia-Horsman, A, Mannisto, P.T, Karttunen, M, Hokkanen, J, Bunker, A.
Deposit date:2012-03-14
Release date:2012-05-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular Dynamics, Crystallography and Mutagenesis Studies on the Substrate Gating Mechanism of Prolyl Oligopeptidase.
Biochimie, 94, 2012
1EZR
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BU of 1ezr by Molmil
CRYSTAL STRUCTURE OF NUCLEOSIDE HYDROLASE FROM LEISHMANIA MAJOR
Descriptor: CALCIUM ION, NUCLEOSIDE HYDROLASE
Authors:Shi, W, Schramm, V.L, Almo, S.C.
Deposit date:2000-05-11
Release date:2000-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Nucleoside hydrolase from Leishmania major. Cloning, expression, catalytic properties, transition state inhibitors, and the 2.5-a crystal structure.
J.Biol.Chem., 274, 1999
6MOL
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BU of 6mol by Molmil
Monoextended DARPin M_R12 complex with EpoR
Descriptor: Erythropoietin receptor, GLYCEROL, Monoextended DARPin R12 (M_R12)
Authors:Jude, K.M, Mohan, K, Garcia, K.C, Guo, Y.
Deposit date:2018-10-04
Release date:2019-06-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.163 Å)
Cite:Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
6FTP
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BU of 6ftp by Molmil
Crystal form 1 of Alpha1-antichymotrypsin variant DBS-II-allo: an allosterically modulated drug-binding serpin for doxorubicin
Descriptor: 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin, DOXORUBICIN
Authors:Schmidt, K, Muller, Y.A.
Deposit date:2018-02-22
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3OQE
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BU of 3oqe by Molmil
Structure of OpdA mutant Y257F
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, Phosphotriesterase
Authors:Ely, F, Guddat, L.W, Ollis, D.L, Schenk, G.
Deposit date:2010-09-02
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The organophosphate-degrading enzyme from Agrobacterium radiobacter displays mechanistic flexibility for catalysis.
Biochem.J., 432, 2010
7PPA
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BU of 7ppa by Molmil
High resolution structure of bone morphogenetic protein receptor type II (BMPRII) extracellular domain in complex with BMP10
Descriptor: Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2, GLYCEROL
Authors:Guo, J, Yu, M, Read, R.J, Li, W.
Deposit date:2021-09-13
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
1IDU
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BU of 1idu by Molmil
CRYSTAL STRUCTURE OF THE PEROXIDE FORM OF THE VANADIUM-CONTAINING CHLOROPEROXIDASE FROM CURVULARIA INAEQUALIS
Descriptor: VANADATE ION, VANADIUM CHLOROPEROXIDASE
Authors:Messerschmidt, A, Prade, L, Wever, R.
Deposit date:2001-04-05
Release date:2001-04-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Implications for the catalytic mechanism of the vanadium-containing enzyme chloroperoxidase from the fungus Curvularia inaequalis by X-ray structures of the native and peroxide form.
Biol.Chem., 378, 1997
6ZSD
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BU of 6zsd by Molmil
Human mitochondrial ribosome in complex with mRNA, P-site tRNA and E-site tRNA
Descriptor: 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ...
Authors:Aibara, S, Singh, V, Modelska, A, Amunts, A.
Deposit date:2020-07-15
Release date:2020-09-16
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of mitochondrial translation.
Elife, 9, 2020
7KXI
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BU of 7kxi by Molmil
Structure of XL5-ligated hRpn13 Pru domain
Descriptor: 2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid, Proteasomal ubiquitin receptor ADRM1
Authors:Lu, X, Walters, K.J.
Deposit date:2020-12-03
Release date:2021-12-15
Last modified:2021-12-29
Method:SOLUTION NMR
Cite:Structure-guided bifunctional molecules hit a DEUBAD-lacking hRpn13 species upregulated in multiple myeloma.
Nat Commun, 12, 2021

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