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4TSS
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BU of 4tss by Molmil
TOXIC SHOCK SYNDROME TOXIN-1: TETRAGONAL P4(1)2(1)2 CRYSTAL FORM
Descriptor: TOXIC SHOCK SYNDROME TOXIN-1, ZINC ION
Authors:Prasad, G.S, Radhakrishnan, R, Mitchell, D.T, Earhart, C.A, Dinges, M.M, Cook, W.J, Schlivert, P.M, Ohlendorf, D.H.
Deposit date:1996-12-11
Release date:1997-12-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Refined structures of three crystal forms of toxic shock syndrome toxin-1 and of a tetramutant with reduced activity.
Protein Sci., 6, 1997
4U10
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BU of 4u10 by Molmil
Probing the structure and mechanism of de-N-acetylase from aggregatibacter actinomycetemcomitans
Descriptor: CHLORIDE ION, Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase, ZINC ION
Authors:Varudharasu, D, Narayanan, R.
Deposit date:2014-07-14
Release date:2015-01-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Probing the structure and mechanism of de-N-acetylase from aggregatibacter actinomycetemcomitans
To Be Published
5ZRN
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BU of 5zrn by Molmil
Inhibitor bound crystal structure of N-terminal domain of FACL13 from Mycobacterium tuberculosis
Descriptor: 5'-O-{[(1R)-1-hydroxydodecyl]sulfamoyl}adenosine, Long-chain-fatty-acid--CoA ligase FadD13
Authors:Goyal, A, Sankaranarayanan, R.
Deposit date:2018-04-24
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Inhibitor bound crystal structure of N-terminal domain of FACL13 from Mycobacterium tuberculosis
To Be Published
1A4W
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BU of 1a4w by Molmil
CRYSTAL STRUCTURES OF THROMBIN WITH THIAZOLE-CONTAINING INHIBITORS: PROBES OF THE S1' BINDING SITE
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ...
Authors:Matthews, J.H, Krishnan, R, Costanzo, M.J, Maryanoff, B.E, Tulinsky, A.
Deposit date:1998-02-06
Release date:1998-04-29
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site.
Biophys.J., 71, 1996
3M7Q
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BU of 3m7q by Molmil
Crystal structure of recombinant Kunitz Type serine protease Inhibitor-1 from the Caribbean sea anemone stichodactyla helianthus in complex with bovine pancreatic trypsin
Descriptor: Cationic trypsin, Kunitz-type proteinase inhibitor SHPI-1, PHOSPHATE ION
Authors:Garcia-Fernandez, R, Redecke, L, Pons, T, Perbandt, M, Gil, D, Talavera, A, Gonzalez, Y, de los angeles Chavez, M, Betzel, C.
Deposit date:2010-03-17
Release date:2011-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into serine protease inhibition by a marine invertebrate BPTI Kunitz-type inhibitor.
J.Struct.Biol., 180, 2012
6LYM
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BU of 6lym by Molmil
Crystal structure of D657A mutant of formylglycinamidine synthetase
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Sharma, N, Tanwar, A.S, Anand, R.
Deposit date:2020-02-14
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Mechanism of Coordinated Gating and Signal Transduction in Purine Biosynthetic Enzyme Formylglycinamidine Synthetase.
Acs Catalysis, 12, 2022
6LYO
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BU of 6lyo by Molmil
Crystal Structure of H296A mutant of Formylglycinamidine Synthetase
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Sharma, N, Tanwar, A.S, Anand, R.
Deposit date:2020-02-15
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Mechanism of Coordinated Gating and Signal Transduction in Purine Biosynthetic Enzyme Formylglycinamidine Synthetase.
Acs Catalysis, 12, 2022
6LYK
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BU of 6lyk by Molmil
Crystal Structure of R1263A mutant of Formylglycinamidine Synthetase
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLUTAMINE, ...
Authors:Sharma, N, Tanwar, A.S, Anand, R.
Deposit date:2020-02-14
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism of Coordinated Gating and Signal Transduction in Purine Biosynthetic Enzyme Formylglycinamidine Synthetase.
Acs Catalysis, 12, 2022
6LYL
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BU of 6lyl by Molmil
Crystal structure of S1052D mutant of Formylglycinamidine synthetase
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Sharma, N, Tanwar, A.S, Anand, R.
Deposit date:2020-02-14
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of Coordinated Gating and Signal Transduction in Purine Biosynthetic Enzyme Formylglycinamidine Synthetase.
Acs Catalysis, 12, 2022
6Y3D
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BU of 6y3d by Molmil
X-ray structure of thermophilic C-phycocyanin from Galdiera phlegrea
Descriptor: ACETATE ION, C-phycocyanin alpha chain, C-phycocyanin beta chain, ...
Authors:Ferraro, G, Lucignano, R, Marseglia, A, Merlino, A.
Deposit date:2020-02-18
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray structure of C-phycocyanin from Galdieria phlegrea: Determinants of thermostability and comparison with a C-phycocyanin in the entire phycobilisome.
Biochim Biophys Acta Bioenerg, 1861, 2020
6MZT
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BU of 6mzt by Molmil
Solution structure of alpha-KTx-6.21 (UroTx) from Urodacus yaschenkoi
Descriptor: Potassium channel toxin alpha-KTx 6.21
Authors:Chin, Y.K.-Y, Luna-Ramirez, K, Anangi, R, King, G.F.
Deposit date:2018-11-05
Release date:2020-03-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural basis of the potency and selectivity of Urotoxin, a potent Kv1 blocker from scorpion venom.
Biochem. Pharmacol., 174, 2020
3IPS
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BU of 3ips by Molmil
X-ray structure of benzisoxazole synthetic agonist bound to the LXR-alpha
Descriptor: Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, SULFATE ION, ...
Authors:Fradera, X, Vu, D, Nimz, O, Skene, R, Hosfield, D, Wijnands, R, Cooke, A.J, Haunso, A, King, A, Bennet, D.J, McGuire, R, Uitdehaag, J.C.M.
Deposit date:2009-08-18
Release date:2010-06-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling.
J.Mol.Biol., 399, 2010
3OFW
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BU of 3ofw by Molmil
Crystal structure of recombinant Kunitz Type serine protease Inhibitor-1 from the Carribean sea anemone stichodactyla helianthus
Descriptor: CHLORIDE ION, Kunitz-type proteinase inhibitor SHPI-1
Authors:Garcia-Fernandez, R, Redecke, L, Pons, T, Perbandt, M, Talavera, A, Gil, D, Gonzalez, Y, de los Angeles Chavez, M, Betzel, C.
Deposit date:2010-08-16
Release date:2011-08-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the recombinant BPTI/Kunitz-type inhibitor rShPI-1A from the marine invertebrate Stichodactyla helianthus.
Acta Crystallogr.,Sect.F, 68, 2012
3IPU
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BU of 3ipu by Molmil
X-ray structure of benzisoxazole urea synthetic agonist bound to the LXR-alpha
Descriptor: 4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ...
Authors:Fradera, X, Vu, D, Nimz, O, Skene, R, Hosfield, D, Wijnands, R, Cooke, A.J, Haunso, A, King, A, Bennet, D.J, McGuire, R, Uitdehaag, J.C.M.
Deposit date:2009-08-18
Release date:2010-06-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling.
J.Mol.Biol., 399, 2010
3IPQ
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BU of 3ipq by Molmil
X-ray structure of GW3965 synthetic agonist bound to the LXR-alpha
Descriptor: Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, SULFATE ION, ...
Authors:Fradera, X, Vu, D, Nimz, O, Skene, R, Hosfield, D, Wijnands, R, Cooke, A.J, Haunso, A, King, A, Bennet, D.J, McGuire, R, Uitdehaag, J.C.M.
Deposit date:2009-08-18
Release date:2010-06-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling.
J.Mol.Biol., 399, 2010
5KBI
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BU of 5kbi by Molmil
CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH CATACHOL
Descriptor: CATECHOL, MopR, ZINC ION
Authors:Ray, S, Anand, R, Panjikar, S.
Deposit date:2016-06-03
Release date:2016-07-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator.
Acs Chem.Biol., 11, 2016
5KBG
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BU of 5kbg by Molmil
CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH OCRESOL
Descriptor: MopR, ZINC ION, o-cresol
Authors:Ray, S, Anand, R, Panjikar, S.
Deposit date:2016-06-03
Release date:2016-07-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator.
Acs Chem.Biol., 11, 2016
5KBE
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BU of 5kbe by Molmil
CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH PHENOL
Descriptor: MopR, PHENOL, ZINC ION
Authors:Ray, S, Anand, R, Panjikar, S.
Deposit date:2016-06-03
Release date:2016-07-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator.
Acs Chem.Biol., 11, 2016
5KBH
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BU of 5kbh by Molmil
CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH 3-CHLORO-PHENOL
Descriptor: 3-CHLOROPHENOL, MopR, ZINC ION
Authors:Ray, S, Anand, R, Panjikar, S.
Deposit date:2016-06-03
Release date:2016-07-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator.
Acs Chem.Biol., 11, 2016
5J61
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BU of 5j61 by Molmil
D-aminoacyl-tRNA deacylase (DTD) from Plasmodium falciparum in complex with glycyl-3'-aminoadenosine at 2.10 Angstrom resolution
Descriptor: 3'-deoxy-3'-(glycylamino)adenosine, D-tyrosyl-tRNA(Tyr) deacylase
Authors:Routh, S.B, Ahmad, S, Sankaranarayanan, R.
Deposit date:2016-04-04
Release date:2016-09-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Elongation Factor Tu Prevents Misediting of Gly-tRNA(Gly) Caused by the Design Behind the Chiral Proofreading Site of D-Aminoacyl-tRNA Deacylase
Plos Biol., 14, 2016
3COA
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BU of 3coa by Molmil
Crystal Structure of FoxO1 DBD Bound to IRE DNA
Descriptor: CALCIUM ION, DNA (5'-D(*DCP*DAP*DAP*DGP*DCP*DAP*DAP*DAP*DAP*DCP*DAP*DAP*DAP*DCP*DCP*DA)-3'), DNA (5'-D(*DTP*DGP*DGP*DTP*DTP*DTP*DGP*DTP*DTP*DTP*DTP*DGP*DCP*DTP*DTP*DG)-3'), ...
Authors:Brent, M.M, Anand, R, Marmorstein, R.
Deposit date:2008-03-27
Release date:2008-09-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for DNA Recognition by FoxO1 and Its Regulation by Posttranslational Modification.
Structure, 16, 2008
3CO6
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BU of 3co6 by Molmil
Crystal Structure of FoxO1 DBD Bound to DBE1 DNA
Descriptor: CALCIUM ION, CHLORIDE ION, DNA (5'-D(*DCP*DAP*DAP*DGP*DGP*DTP*DAP*DAP*DAP*DCP*DAP*DAP*DAP*DCP*DCP*DA)-3'), ...
Authors:Brent, M.M, Anand, R, Marmorstein, R.
Deposit date:2008-03-27
Release date:2008-09-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for DNA Recognition by FoxO1 and Its Regulation by Posttranslational Modification.
Structure, 16, 2008
3CO7
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BU of 3co7 by Molmil
Crystal Structure of FoxO1 DBD Bound to DBE2 DNA
Descriptor: DNA (5'-D(*DCP*DAP*DAP*DAP*DAP*DTP*DGP*DTP*DAP*DAP*DAP*DCP*DAP*DAP*DGP*DA)-3'), DNA (5'-D(*DTP*DCP*DTP*DTP*DGP*DTP*DTP*DTP*DAP*DCP*DAP*DTP*DTP*DTP*DTP*DG)-3'), Forkhead box protein O1
Authors:Brent, M.M, Anand, R, Marmorstein, R.
Deposit date:2008-03-27
Release date:2008-09-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structural Basis for DNA Recognition by FoxO1 and Its Regulation by Posttranslational Modification.
Structure, 16, 2008
5TSS
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BU of 5tss by Molmil
TOXIC SHOCK SYNDROME TOXIN-1: ORTHORHOMBIC P222(1) CRYSTAL FORM
Descriptor: TOXIC SHOCK SYNDROME TOXIN-1
Authors:Prasad, G.S, Radhakrishnan, R, Mitchell, D.T, Earhart, C.A, Dinges, M.M, Cook, W.J, Schlivert, P.M, Ohlendorf, D.H.
Deposit date:1996-12-11
Release date:1997-12-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Refined structures of three crystal forms of toxic shock syndrome toxin-1 and of a tetramutant with reduced activity.
Protein Sci., 6, 1997
3E53
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BU of 3e53 by Molmil
Crystal structure of N-terminal domain of a Fatty Acyl AMP Ligase FAAL28 from Mycobacterium tuberculosis
Descriptor: FATTY-ACID-CoA LIGASE FADD28
Authors:Goyal, A, Rajakumara, E, Yousuf, M, Sankaranarayanan, R.
Deposit date:2008-08-13
Release date:2009-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Mechanistic and functional insights into fatty acid activation in Mycobacterium tuberculosis.
Nat.Chem.Biol., 5, 2009

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