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6CZC
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BU of 6czc by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with thymidine triphosphate (TTP) - promiscuous binding mode with disordered nucleoside
Descriptor: ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE
Authors:Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
Deposit date:2018-04-09
Release date:2018-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
6CVK
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BU of 6cvk by Molmil
Hepatitis B e-antigen in complex with scFv e13
Descriptor: Capsid protein, Single chain variable fragment (scFv) e13
Authors:Eren, E, Steven, A.C, Wingfield, P.T.
Deposit date:2018-03-28
Release date:2018-08-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structures of Hepatitis B Virus Core- and e-Antigen Immune Complexes Suggest Multi-point Inhibition.
Structure, 26, 2018
6CVU
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BU of 6cvu by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine
Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION
Authors:Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
Deposit date:2018-03-28
Release date:2018-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.426 Å)
Cite:Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
6CZE
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BU of 6cze by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with inosine triphosphate (ITP) - promiscuous binding mode with disordered nucleoside
Descriptor: ATP-dependent dethiobiotin synthetase BioD, INOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
Deposit date:2018-04-09
Release date:2018-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
3GX2
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BU of 3gx2 by Molmil
TteSAM-I riboswitch variant A94GU34C bound to sinefungin
Descriptor: MAGNESIUM ION, RNA (94-MER), SINEFUNGIN
Authors:Montange, R.K, Batey, R.T.
Deposit date:2009-04-01
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discrimination between Closely Related Cellular Metabolites by the SAM-I Riboswitch.
J.Mol.Biol., 396, 2010
6CWD
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BU of 6cwd by Molmil
Hepatitis B core-antigen in complex with scFv e13
Descriptor: Capsid protein, Single chain variable fragment (scFv) e13
Authors:Eren, E, Steven, A.C, Wingfield, P.T.
Deposit date:2018-03-30
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Structures of Hepatitis B Virus Core- and e-Antigen Immune Complexes Suggest Multi-point Inhibition.
Structure, 26, 2018
3E33
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BU of 3e33 by Molmil
Protein farnesyltransferase complexed with FPP and ethylenediamine scaffold inhibitor 7
Descriptor: FARNESYL DIPHOSPHATE, N-benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzenesulfonamide, Protein farnesyltransferase subunit beta, ...
Authors:Hast, M.A, Beese, L.S.
Deposit date:2008-08-06
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase.
Chem.Biol., 16, 2009
6CIX
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BU of 6cix by Molmil
Lactam cyclised mimetic of a fragment of p21
Descriptor: p21
Authors:Wegener, K.L.
Deposit date:2018-02-25
Release date:2018-07-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Rational Design of a 310-Helical PIP-Box Mimetic Targeting PCNA, the Human Sliding Clamp.
Chemistry, 24, 2018
6CEJ
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BU of 6cej by Molmil
Solution structure of a 14mer fragment of the p21 protein
Descriptor: Cyclin-dependent kinase inhibitor 1
Authors:Wegener, K.L.
Deposit date:2018-02-12
Release date:2018-07-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Rational Design of a 310-Helical PIP-Box Mimetic Targeting PCNA, the Human Sliding Clamp.
Chemistry, 24, 2018
3E30
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BU of 3e30 by Molmil
Protein farnesyltransferase complexed with FPP and ethylene diamine inhibitor 4
Descriptor: FARNESYL DIPHOSPHATE, Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ...
Authors:Hast, M.A, Beese, L.S.
Deposit date:2008-08-06
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase.
Chem.Biol., 16, 2009
4QV2
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BU of 4qv2 by Molmil
Unliganded crystal structure of Feline Norovirus P Domain co-crystallized with HBGA A-trisaccharide
Descriptor: 1,2-ETHANEDIOL, VP1
Authors:Singh, B.K, Hansman, G.S.
Deposit date:2014-07-14
Release date:2014-11-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural analysis of a feline norovirus protruding domain.
Virology, 474, 2015
6DC0
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BU of 6dc0 by Molmil
Tribbles (TRIB1) pseudokinase fused to CCAAT-enhancer binding protein (C/EBPalpha) degron
Descriptor: Tribbles homolog 1,CCAAT/enhancer-binding protein alpha
Authors:Jamieson, S.A, Brewster, J.L, Mace, P.D.
Deposit date:2018-05-03
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Substrate binding allosterically relieves autoinhibition of the pseudokinase TRIB1.
Sci Signal, 11, 2018
3FZP
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BU of 3fzp by Molmil
Crystal structure of PYK2 complexed with ATPgS
Descriptor: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein tyrosine kinase 2 beta, SULFATE ION
Authors:Han, S.
Deposit date:2009-01-26
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZT
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BU of 3fzt by Molmil
Crystal structure of PYK2 complexed with PF-4618433
Descriptor: 1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1H-pyrazol-5-yl}urea, Protein tyrosine kinase 2 beta
Authors:Han, S.
Deposit date:2009-01-26
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3WO7
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BU of 3wo7 by Molmil
Crystal structure of YidC from Bacillus halodurans (form II)
Descriptor: COPPER (II) ION, Membrane protein insertase YidC 2
Authors:Kumazaki, K, Tsukazaki, T, Ishitani, R, Nureki, O.
Deposit date:2013-12-20
Release date:2014-04-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:Structural basis of Sec-independent membrane protein insertion by YidC.
Nature, 509, 2014
3WOY
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BU of 3woy by Molmil
Crystal structure of CLASP2 TOG domain (TOG2)
Descriptor: CLIP-associating protein 2
Authors:Hayashi, I, Maki, T.
Deposit date:2014-01-06
Release date:2015-05-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:CLASP2 Has Two Distinct TOG Domains That Contribute Differently to Microtubule Dynamics
J. Mol. Biol., 427, 2015
3GE3
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BU of 3ge3 by Molmil
Crystal Structure of the reduced Toluene 4-Monooxygenase HD T201A mutant complex
Descriptor: ACETATE ION, CHLORIDE ION, FE (III) ION, ...
Authors:Elsen, N.L, Bailey, L.J, Fox, B.G.
Deposit date:2009-02-24
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Role for threonine 201 in the catalytic cycle of the soluble diiron hydroxylase toluene 4-monooxygenase.
Biochemistry, 48, 2009
3GAB
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BU of 3gab by Molmil
C-terminal domain of Bacillus subtilis MutL crystal form I
Descriptor: DNA mismatch repair protein mutL
Authors:Guarne, A, Pillon, M.C, Lorenowicz, J.J, Mitchell, R.R, Chung, Y.S, Friedhoff, P.
Deposit date:2009-02-17
Release date:2010-07-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the endonuclease domain of MutL: unlicensed to cut.
Mol.Cell, 39, 2010
3GK2
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BU of 3gk2 by Molmil
X-ray structure of bovine SBi279,Ca(2+)-S100B
Descriptor: (Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide, CACODYLATE ION, CALCIUM ION, ...
Authors:Charpentier, T.H, Weber, D.J, Toth, E.A.
Deposit date:2009-03-09
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography.
Biochemistry, 48, 2009
3GK4
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BU of 3gk4 by Molmil
X-ray structure of bovine SBi523,Ca(2+)-S100B
Descriptor: CALCIUM ION, Protein S100-B, ethyl 5-{[(1R)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate
Authors:Charpentier, T.H, Weber, D.J, Toth, E.A.
Deposit date:2009-03-09
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography.
Biochemistry, 48, 2009
3WBN
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BU of 3wbn by Molmil
Crystal structure of MATE in complex with MaL6
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MaL6, Putative uncharacterized protein
Authors:Tanaka, Y, Ishitani, R, Nureki, O.
Deposit date:2013-05-20
Release date:2013-06-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis for the drug extrusion mechanism by a MATE multidrug transporter.
Nature, 496, 2013
3GK1
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BU of 3gk1 by Molmil
X-ray structure of bovine SBi132,Ca(2+)-S100B
Descriptor: 2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide, CACODYLATE ION, CALCIUM ION, ...
Authors:Charpentier, T.H, Weber, D.J, Toth, E.A.
Deposit date:2009-03-09
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography.
Biochemistry, 48, 2009
3WO6
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BU of 3wo6 by Molmil
Crystal structure of YidC from Bacillus halodurans (form I)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CADMIUM ION, Membrane protein insertase YidC 2
Authors:Kumazaki, K, Tsukazaki, T, Ishitani, R, Nureki, O.
Deposit date:2013-12-20
Release date:2014-04-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Structural basis of Sec-independent membrane protein insertion by YidC.
Nature, 509, 2014
3W4T
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BU of 3w4t by Molmil
Crystal structure of MATE P26A mutant
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative uncharacterized protein
Authors:Tanaka, Y, Ishitani, R, Nureki, O.
Deposit date:2013-01-16
Release date:2013-04-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Structural basis for the drug extrusion mechanism by a MATE multidrug transporter.
Nature, 496, 2013
3GX5
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BU of 3gx5 by Molmil
Crystal structure of T. tencongensis SAM-I riboswitch variant A94G/U34 bound with SAM
Descriptor: MAGNESIUM ION, POTASSIUM ION, RNA (94-MER), ...
Authors:Montange, R.K, Batey, R.T.
Deposit date:2009-04-01
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Discrimination between Closely Related Cellular Metabolites by the SAM-I Riboswitch.
J.Mol.Biol., 396, 2010

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