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2B1W
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BU of 2b1w by Molmil
Solution structure of the NOD1 Caspase Activating and Recruitment Domain
Descriptor: Caspase recruitment domain protein 4
Authors:Manon, F, Favier, A, Simorre, J.P, Cusack, S.
Deposit date:2005-09-16
Release date:2006-09-26
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of NOD1 CARD and mutational analysis of its interaction with the CARD of downstream kinase RICK.
J.Mol.Biol., 365, 2007
5HHE
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BU of 5hhe by Molmil
Human Beclin 1 coiled-coil domain
Descriptor: Beclin-1
Authors:Mei, Y, Sinha, S.
Deposit date:2016-01-10
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Identification of BECN1 and ATG14 Coiled-Coil Interface Residues That Are Important for Starvation-Induced Autophagy.
Biochemistry, 55, 2016
2F9Y
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BU of 2f9y by Molmil
The Crystal Structure of The Carboxyltransferase Subunit of ACC from Escherichia coli
Descriptor: Acetyl-CoA carboxylase, Carboxyltransferase alpha chain, Acetyl-coenzyme A carboxylase carboxyl transferase subunit beta, ...
Authors:Bilder, P.W.
Deposit date:2005-12-06
Release date:2006-12-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Structure of the Carboxyltransferase Component of Acetyl-CoA Carboxylase Reveals a Zinc-Binding Motif Unique to the Bacterial Enzyme(,).
Biochemistry, 45, 2006
2JOX
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BU of 2jox by Molmil
Embryonic Neural Inducing Factor Churchill is not a DNA-Binding Zinc Finger Protein: Solution Structure Reveals a Solvent-Exposed beta-Sheet and Zinc Binuclear Cluster
Descriptor: Churchill protein, ZINC ION
Authors:Lee, B.M, Buck-Koehntop, B.A, Martinez-Yamout, M.A, Gottesfeld, J.M, Dyson, H, Wright, P.E.
Deposit date:2007-04-07
Release date:2007-08-21
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Embryonic Neural Inducing Factor Churchill Is not a DNA-binding Zinc Finger Protein: Solution Structure Reveals a Solvent-exposed beta-Sheet and Zinc Binuclear Cluster
J.Mol.Biol., 371, 2007
2JAJ
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BU of 2jaj by Molmil
DDAH1 complexed with L-257
Descriptor: NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1, N~5~-{IMINO[(2-METHOXYETHYL)AMINO]METHYL}-L-ORNITHINE
Authors:Murray-Rust, J, O'Hara, B.P, Rossiter, S, Leiper, J.M, Vallance, P, McDonald, N.Q.
Deposit date:2006-11-29
Release date:2007-02-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Disruption of methylarginine metabolism impairs vascular homeostasis.
Nat. Med., 13, 2007
2G69
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BU of 2g69 by Molmil
Structure of Unliganded HIV-1 Protease F53L Mutant
Descriptor: protease
Authors:Kovalevsky, A.Y, Liu, F.
Deposit date:2006-02-24
Release date:2006-05-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mechanism of Drug Resistance Revealed by the Crystal Structure of the Unliganded HIV-1 Protease with F53L Mutation.
J.Mol.Biol., 358, 2006
2F9I
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BU of 2f9i by Molmil
Crystal Structure of the carboxyltransferase subunit of ACC from Staphylococcus aureus
Descriptor: ZINC ION, acetyl-coenzyme A carboxylase carboxyl transferase subunit alpha, acetyl-coenzyme A carboxylase carboxyl transferase subunit beta
Authors:Bilder, P.W.
Deposit date:2005-12-05
Release date:2006-12-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The structure of the carboxyltransferase component of acetyl-coA carboxylase reveals a zinc-binding motif unique to the bacterial enzyme.
Biochemistry, 45, 2006
2BV6
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BU of 2bv6 by Molmil
Crystal structure of MgrA, a global regulator and major virulence determinant in Staphylococcus aureus
Descriptor: HTH-TYPE TRANSCRIPTIONAL REGULATOR MGRA, SULFATE ION
Authors:Chen, P.R, Bae, T, Williams, W.A, Duguid, E.M, Rice, P.A, Schneewind, O, He, C.
Deposit date:2005-06-22
Release date:2006-09-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:An Oxidation-Sensing Mechanism is Used by the Global Regulator Mgra in Staphylococcus Aureus.
Nat.Chem.Biol., 2, 2006
2LQL
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BU of 2lql by Molmil
Solution structure of CHCH5
Descriptor: Coiled-coil-helix-coiled-coil-helix domain-containing protein 5
Authors:Peruzzini, R, Ciofi-Baffoni, S, Banci, L, Bertini, I.
Deposit date:2012-03-09
Release date:2012-10-24
Last modified:2023-12-06
Method:SOLUTION NMR
Cite:Structural characterization of CHCHD5 and CHCHD7: Two atypical human twin CX(9)C proteins.
J.Struct.Biol., 180, 2012
2MCY
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BU of 2mcy by Molmil
CR1 Sushi domains 2 and 3
Descriptor: Complement receptor type 1
Authors:Park, H.J, Guariento, M.J, Maciejewski, M, Hauart, R, Tham, W, Cowman, A.F, Schmidt, C.Q, Martens, H, Liszewski, K.M, Hourcade, D, Barlow, P.N, Atkinson, J.P.
Deposit date:2013-08-27
Release date:2013-11-13
Last modified:2014-01-22
Method:SOLUTION NMR
Cite:Using Mutagenesis and Structural Biology to Map the Binding Site for the Plasmodium falciparum Merozoite Protein PfRh4 on the Human Immune Adherence Receptor.
J.Biol.Chem., 289, 2014
2MD8
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BU of 2md8 by Molmil
NMR structure of Sp140 PHD finger cis conformer
Descriptor: Nuclear body protein SP140, ZINC ION
Authors:Zucchelli, C, Quilici, G, Musco, G.
Deposit date:2013-09-02
Release date:2013-11-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of human Sp140 PHD finger: an atypical fold interacting with Pin1.
Febs J., 281, 2014
2MD7
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BU of 2md7 by Molmil
NMR structure of human Sp140 PHD finger trans conformer
Descriptor: Nuclear body protein SP140, ZINC ION
Authors:Zucchelli, C, Quilici, G, Musco, G.
Deposit date:2013-09-02
Release date:2013-11-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of human Sp140 PHD finger: an atypical fold interacting with Pin1.
Febs J., 281, 2014
4KUX
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BU of 4kux by Molmil
Crystal structure of Aspergillus terreus aristolochene synthase complexed with farnesyl thiolodiphosphate (FSPP)
Descriptor: Aristolochene synthase, GLYCEROL, MAGNESIUM ION, ...
Authors:Chen, M, Faraldos, J.A, Al-lami, N, Janvier, M, D'Antonio, E.L, Cane, D.E, Allemann, R.K, Christianson, D.W.
Deposit date:2013-05-22
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
4KVY
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BU of 4kvy by Molmil
Crystal structure of Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium
Descriptor: (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ...
Authors:Chen, M, Al-lami, N, Janvier, M, D'Antonio, E.L, Faraldos, J.A, Cane, D.E, Allemann, R.K, Christianson, D.W.
Deposit date:2013-05-23
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
5ODR
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BU of 5odr by Molmil
Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus soaked with heterodisulfide for 2 minutes.
Descriptor: 1-THIOETHANESULFONIC ACID, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETATE ION, ...
Authors:Wagner, T, Koch, J, Ermler, U, Shima, S.
Deposit date:2017-07-06
Release date:2017-08-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
3INM
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BU of 3inm by Molmil
Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase R132H mutant in complex with NADPH, ALPHA-KETOGLUTARATE and CALCIUM(2+)
Descriptor: 2-OXOGLUTARIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Fontano, E, Brown, R.S, Suto, R.K, Bhyravbhatla, B.
Deposit date:2009-08-12
Release date:2009-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cancer-associated IDH1 mutations produce 2-hydroxyglutarate.
Nature, 462, 2009
3I7Z
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BU of 3i7z by Molmil
Protein Tyrosine Phosphatase 1B - Transition state analog for the first catalytic step
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, EGFR receptor fragment, GLYCEROL, ...
Authors:Brandao, T.A.S, Johnson, S.J, Hengge, A.C.
Deposit date:2009-07-09
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insights into the reaction of protein-tyrosine phosphatase 1B: crystal structures for transition state analogs of both catalytic steps.
J.Biol.Chem., 285, 2010
1CC2
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BU of 1cc2 by Molmil
CHOLESTEROL OXIDASE FROM STREPTOMYCES HIS447GLN MUTANT
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, PROTEIN (CHOLESTEROL OXIDASE)
Authors:Vrielink, A, Yue, Q.K.
Deposit date:1999-03-03
Release date:1999-03-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure determination of cholesterol oxidase from Streptomyces and structural characterization of key active site mutants.
Biochemistry, 38, 1999
3IUR
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BU of 3iur by Molmil
apPEP_D266Nx+H2H3 opened state
Descriptor: GLYCEROL, H2H3 helices from villin headpiece subdomain HP35, POLYETHYLENE GLYCOL (N=34), ...
Authors:Chiu, T.K.
Deposit date:2009-08-31
Release date:2010-05-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IVM
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BU of 3ivm by Molmil
apPEP_WT+PP closed state
Descriptor: N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL, prolyl endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-09-01
Release date:2010-05-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
1CCP
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BU of 1ccp by Molmil
X-RAY STRUCTURES OF RECOMBINANT YEAST CYTOCHROME C PEROXIDASE AND THREE HEME-CLEFT MUTANTS PREPARED BY SITE-DIRECTED MUTAGENESIS
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, YEAST CYTOCHROME C PEROXIDASE
Authors:Wang, J, Mauro, J.M, Edwards, S.L, Oatley, S.J, Fishel, L.A, Ashford, V.A, Xuong, N.-H, Kraut, J.
Deposit date:1990-02-28
Release date:1991-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray structures of recombinant yeast cytochrome c peroxidase and three heme-cleft mutants prepared by site-directed mutagenesis.
Biochemistry, 29, 1990
4KLR
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BU of 4klr by Molmil
E343Q variant of human ferrochelatase
Descriptor: BICARBONATE ION, CHLORIDE ION, CHOLIC ACID, ...
Authors:Lanzilotta, W.N, Medlock, A.E.
Deposit date:2013-05-07
Release date:2014-06-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:E343Q variant of human ferrochelatase
To be Published
2ZCS
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BU of 2zcs by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with bisphosphonate BPH-700
Descriptor: Dehydrosqualene synthase, tripotassium (1R)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate
Authors:Liu, C.I, Jeng, W.Y, Wang, A.H, Oldfield, E.
Deposit date:2007-11-11
Release date:2008-03-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008
1C6X
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BU of 1c6x by Molmil
ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor: N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE, PROTEIN (PROTEASE)
Authors:Munshi, S.
Deposit date:1999-12-28
Release date:2000-12-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
3ITI
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BU of 3iti by Molmil
Structure of bovine trypsin with the MAD triangle B3C
Descriptor: 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid, BENZAMIDINE, CALCIUM ION, ...
Authors:Beck, T, da Cunha, C.E, Sheldrick, G.M.
Deposit date:2009-08-28
Release date:2009-10-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:How to get the magic triangle and the MAD triangle into your protein crystal.
Acta Crystallogr.,Sect.F, 65, 2009

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