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1RWX
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Crystal structure of human caspase-1 in complex with 4-oxo-3-{6-[4-(quinoxalin-2-yloxy)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-butyric acid
Descriptor: 4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-BUTYRIC ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-17
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Tethering identifies fragment that yields potent inhibitors of human caspase-1.
Bioorg.Med.Chem.Lett., 16, 2006
1SC4
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BU of 1sc4 by Molmil
Crystal structure of the human caspase-1 C285A mutant after removal of malonate
Descriptor: Interleukin-1 beta convertase
Authors:Romanowski, M.J, Scheer, J.M, O'Brien, T, McDowell, R.S.
Deposit date:2004-02-11
Release date:2004-08-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of a ligand-free and malonate-bound human caspase-1: implications for the mechanism of substrate binding.
Structure, 12, 2004
1U2X
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BU of 1u2x by Molmil
Crystal Structure of a Hypothetical ADP-dependent Phosphofructokinase from Pyrococcus horikoshii OT3
Descriptor: ADP-specific phosphofructokinase, SULFATE ION
Authors:Wong, A.H.Y, Jia, Z, Skarina, T, Walker, J.R, Arrowsmith, C, Joachimiak, A, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-07-20
Release date:2004-09-14
Last modified:2012-10-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:ADP-dependent 6-phosphofructokinase from Pyrococcus horikoshii OT3: structure determination and biochemical characterization of PH1645.
J.Biol.Chem., 284, 2009
1RWK
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Crystal structure of human caspase-1 in complex with 3-(2-mercapto-acetylamino)-4-oxo-pentanoic acid
Descriptor: 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Lam, J.W, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-16
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
8GVN
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BU of 8gvn by Molmil
Novel salt-resistant antimicrobial peptide, RR14
Descriptor: TRP-LEU-ARG-ARG-ILE-LYS-ALA-TRP-LEU-ARG-ARG-ILE-LYS-ALA
Authors:Lin, T.L, Tseng, T.S, Fan, P.J.
Deposit date:2022-09-15
Release date:2022-11-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Deciphering Structure-Function Relationship Unveils Salt-Resistant Mode of Action of a Potent MRSA-Inhibiting Antimicrobial Peptide, RR14.
J.Bacteriol., 204, 2022
1TX4
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BU of 1tx4 by Molmil
RHO/RHOGAP/GDP(DOT)ALF4 COMPLEX
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, P50-RHOGAP, ...
Authors:Rittinger, K, Walker, P.A, Smerdon, S.J, Gamblin, S.J.
Deposit date:1997-07-29
Release date:1998-09-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure at 1.65 A of RhoA and its GTPase-activating protein in complex with a transition-state analogue.
Nature, 389, 1997
2ECR
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BU of 2ecr by Molmil
Crystal structure of the ligand-free form of the flavin reductase component (HpaC) of 4-hydroxyphenylacetate 3-monooxygenase
Descriptor: flavin reductase component (HpaC) of 4-hydroxyphenylacetate 3-monooxygenase
Authors:Kim, S.H, Hisano, T, Iwasaki, W, Ebihara, A, Miki, K.
Deposit date:2007-02-13
Release date:2008-01-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the flavin reductase component (HpaC) of 4-hydroxyphenylacetate 3-monooxygenase from Thermus thermophilus HB8: Structural basis for the flavin affinity
Proteins, 70, 2008
1FC0
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HUMAN LIVER GLYCOGEN PHOSPHORYLASE COMPLEXED WITH N-ACETYL-BETA-D-GLUCOPYRANOSYLAMINE
Descriptor: GLYCOGEN PHOSPHORYLASE, LIVER FORM, N-acetyl-beta-D-glucopyranosylamine, ...
Authors:Rath, V.L, Ammirati, M, LeMotte, P.K, Fennell, K.F, Mansour, M.M, Danley, D.E, Hynes, T.R, Schulte, G.K, Wasilko, D.J, Pandit, J.
Deposit date:2000-07-17
Release date:2000-08-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Activation of human liver glycogen phosphorylase by alteration of the secondary structure and packing of the catalytic core.
Mol.Cell, 6, 2000
2ED4
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BU of 2ed4 by Molmil
Crystal structure of flavin reductase HpaC complexed with FAD and NAD
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, flavin reductase (HpaC) of 4-hydroxyphenylacetate 3-monooxygenae
Authors:Kim, S.H, Hisano, T, Iwasaki, W, Ebihara, A, Miki, K.
Deposit date:2007-02-14
Release date:2008-01-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the flavin reductase component (HpaC) of 4-hydroxyphenylacetate 3-monooxygenase from Thermus thermophilus HB8: Structural basis for the flavin affinity
Proteins, 70, 2008
1RWO
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BU of 1rwo by Molmil
Crystal structure of human caspase-1 in complex with 4-oxo-3-{6-[4-(quinoxalin-2-ylamino)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-pentanoic acid
Descriptor: 4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-PENTANOIC ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Waal, N.D, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-16
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
1RYH
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BU of 1ryh by Molmil
Alternative Splicing of Rac1 Generates Rac1b, a Self-activating GTPase
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ras-related C3 botulinum toxin substrate 1 isoform Rac1b
Authors:Ahmadian, M.R, Fiegen, D.
Deposit date:2003-12-22
Release date:2004-01-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Alternative Splicing of Rac1 Generates Rac1b, a Self-activating GTPase
J.Biol.Chem., 279, 2004
1G2Q
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BU of 1g2q by Molmil
CRYSTAL STRUCTURE OF ADENINE PHOSPHORIBOSYLTRANSFERASE
Descriptor: ADENINE PHOSPHORIBOSYLTRANSFERASE 1
Authors:Shi, W, Tanaka, K.S.E, Almo, S.C, Schramm, V.L.
Deposit date:2000-10-20
Release date:2001-12-05
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural analysis of adenine phosphoribosyltransferase from Saccharomyces cerevisiae.
Biochemistry, 40, 2001
2ECU
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BU of 2ecu by Molmil
Crystal structure of flavin reductase component (HpaC) of 4-hydroxyphenylacetate 3-monooxygenase
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, DODECAETHYLENE GLYCOL, flavin reductase (HpaC) of 4-hydroxyphenylacetate 3-monooxygnease
Authors:Kim, S.H, Hisano, T, Iwasaki, W, Ebihara, A, Miki, K.
Deposit date:2007-02-14
Release date:2008-01-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of the flavin reductase component (HpaC) of 4-hydroxyphenylacetate 3-monooxygenase from Thermus thermophilus HB8: Structural basis for the flavin affinity
Proteins, 70, 2008
2B8J
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BU of 2b8j by Molmil
Crystal structure of AphA class B acid phosphatase/phosphotransferase ternary complex with adenosine and phosphate at 2 A resolution
Descriptor: ADENOSINE, GOLD 3+ ION, GOLD ION, ...
Authors:Calderone, V, Forleo, C, Benvenuti, M, Thaller, M.C, Rossolini, G.M, Mangani, S.
Deposit date:2005-10-07
Release date:2005-11-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.033 Å)
Cite:A structure-based proposal for the catalytic mechanism of the bacterial acid phosphatase AphA belonging to the DDDD superfamily of phosphohydrolases
J.Mol.Biol., 355, 2006
1RYF
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BU of 1ryf by Molmil
Alternative Splicing of Rac1 Generates Rac1b, a Self-activating GTPase
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ras-related C3 botulinum toxin substrate 1 isoform Rac1b
Authors:Ahmadian, M.R, Fiegen, D.
Deposit date:2003-12-22
Release date:2004-01-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Alternative Splicing of Rac1 Generates Rac1b, a Self-activating GTPase
J.Biol.Chem., 279, 2004
1RWN
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BU of 1rwn by Molmil
Crystal structure of human caspase-1 in complex with 3-{2-ethyl-6-[4-(quinoxalin-2-ylamino)-benzoylamino]-hexanoylamino}-4-oxo-butyric acid
Descriptor: 3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-HEXANOYLAMINO}-4-OXO-BUTYRIC ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-16
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
1RWV
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BU of 1rwv by Molmil
Crystal structure of human caspase-1 in complex with 5-[5-(1-carboxymethyl-2-oxo-propylcarbamoyl)-5-phenyl-pentylsulfamoyl]-2-hydroxy-benzoic acid
Descriptor: 5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Burdett, M.T, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-17
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel Caspase-1 Inhibitors Discovered Using Tethering(SM) with Extenders
TO BE PUBLISHED
1RWM
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BU of 1rwm by Molmil
Crystal structure of human caspase-1 in complex with 4-oxo-3-[2-(5-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-thiophen-2-yl)-acetylamino]-pentanoic acid
Descriptor: 4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Waal, N.D, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-16
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
1RWW
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BU of 1rww by Molmil
Crystal structure of human caspase-1 in complex with 4-oxo-3-[(6-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-pyridine-3-carbonyl)-amino]-butyric acid
Descriptor: 4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-PYRIDINE-3-CARBONYL)-AMINO]-BUTYRIC ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-17
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Tethering identifies fragment that yields potent inhibitors of human caspase-1.
Bioorg.Med.Chem.Lett., 16, 2006
1S1C
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BU of 1s1c by Molmil
Crystal structure of the complex between the human RhoA and Rho-binding domain of human ROCKI
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Rho-associated, ...
Authors:Dvorsky, R, Blumenstein, L, Vetter, I.R, Ahmadian, M.R.
Deposit date:2004-01-06
Release date:2004-02-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Insights into the Interaction of ROCKI with the Switch Regions of RhoA.
J.Biol.Chem., 279, 2004
1H3E
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BU of 1h3e by Molmil
Tyrosyl-tRNA synthetase from Thermus thermophilus complexed with wild-type tRNAtyr(GUA) and with ATP and tyrosinol
Descriptor: 4-[(2S)-2-amino-3-hydroxypropyl]phenol, ADENOSINE-5'-TRIPHOSPHATE, TYROSYL-TRNA SYNTHETASE, ...
Authors:Cusack, S, Yaremchuk, A, Kriklivyi, I, Tukalo, M.
Deposit date:2002-08-28
Release date:2002-10-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Class I Tyrosyl-tRNA Synthetase Has a Class II Mode or tRNA Recognition
Embo J., 21, 2002
1SC1
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BU of 1sc1 by Molmil
Crystal structure of an active-site ligand-free form of the human caspase-1 C285A mutant
Descriptor: CHLORIDE ION, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Scheer, J.M, O'Brien, T, McDowell, R.S.
Deposit date:2004-02-11
Release date:2004-08-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of a ligand-free and malonate-bound human caspase-1: implications for the mechanism of substrate binding.
Structure, 12, 2004
1SC3
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BU of 1sc3 by Molmil
Crystal structure of the human caspase-1 C285A mutant in complex with malonate
Descriptor: Interleukin-1 beta convertase, MALONATE ION
Authors:Romanowski, M.J, Scheer, J.M, O'Brien, T, McDowell, R.S.
Deposit date:2004-02-11
Release date:2004-08-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of a ligand-free and malonate-bound human caspase-1: implications for the mechanism of substrate binding.
Structure, 12, 2004
1T5H
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BU of 1t5h by Molmil
4-Chlorobenzoyl-CoA Ligase/Synthetase unliganded, selenomethionine
Descriptor: 4-chlorobenzoyl CoA ligase, CALCIUM ION
Authors:Gulick, A.M, Lu, X, Dunaway-Mariano, D.
Deposit date:2004-05-04
Release date:2004-08-03
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Crystal Structure of 4-Chlorobenzoate:CoA Ligase/Synthetase in the Unliganded and Aryl Substrate-Bound States
Biochemistry, 43, 2004
2B82
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Crystal structure of AphA class B acid phosphatase/phosphotransferase ternary complex with adenosine and phosphate bound to the catalytic metal at 1.2 A resolution
Descriptor: ADENOSINE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Calderone, V, Forleo, C, Benvenuti, M, Thaller, M.C, Rossolini, G.M, Mangani, S.
Deposit date:2005-10-06
Release date:2005-11-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A structure-based proposal for the catalytic mechanism of the bacterial acid phosphatase AphA belonging to the DDDD superfamily of phosphohydrolases
J.Mol.Biol., 355, 2006

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