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2OZT
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BU of 2ozt by Molmil
Crystal structure of O-succinylbenzoate synthase from Thermosynechococcus elongatus BP-1
Descriptor: PHOSPHATE ION, SODIUM ION, Tlr1174 protein
Authors:Malashkevich, V.N, Bonanno, J, Toro, R, Sauder, J.M, Schwinn, K.D, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Gheyi, T, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-02-27
Release date:2007-03-13
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
2XHL
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BU of 2xhl by Molmil
Structure of a functional derivative of Clostridium botulinum neurotoxin type B
Descriptor: BOTULINUM NEUROTOXIN B HEAVY CHAIN, BOTULINUM NEUROTOXIN B LIGHT CHAIN, ZINC ION
Authors:Masuyer, G, Beard, M, Cadd, V.A, Chaddock, J.A, Acharya, K.R.
Deposit date:2010-06-18
Release date:2010-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and Activity of a Functional Derivative of Clostridium Botulinum Neurotoxin B.
J.Struct.Biol., 174, 2011
2XHM
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BU of 2xhm by Molmil
Crystal structure of AnCE-K26 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ANGIOTENSIN CONVERTING ENZYME, ...
Authors:Akif, M, Ntai, I, Sturrock, E.D, Isaac, R.E, Bachmann, B.O, Acharya, K.R.
Deposit date:2010-06-18
Release date:2010-07-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structure of a Phosphonotripeptide K-26 in Complex with Angiotensin Converting Enzyme Homologue (Ance) from Drosophila Melanogaster.
Biochem.Biophys.Res.Commun., 398, 2010
2XI8
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BU of 2xi8 by Molmil
High resolution structure of native CylR2
Descriptor: GLYCEROL, PUTATIVE TRANSCRIPTION REGULATOR
Authors:Gruene, T, Cho, M.-K, Karyagina, I, Kim, H.-Y, Grosse, C, Giller, K, Zweckstetter, M, Becker, S.
Deposit date:2010-06-28
Release date:2011-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Integrated Analysis of the Conformation of a Protein-Linked Spin Label by Crystallography, Epr and NMR Spectroscopy.
J.Biomol.NMR, 49, 2011
1W4P
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BU of 1w4p by Molmil
Binding of Nonnatural 3'-Nucleotides to Ribonuclease A
Descriptor: 2'-DEOXYURIDINE 3'-MONOPHOSPHATE, PANCREATIC RIBONUCLEASE A
Authors:Jenkins, C.L, Thiyagarajan, N, Sweeney, R.Y, Guy, M.P, Kelemen, B.R, Acharya, K.R, Raines, R.T.
Deposit date:2004-07-27
Release date:2005-02-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Binding of Non-Natural 3'-Nucleotides to Ribonuclease A
FEBS J., 272, 2005
4NIE
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BU of 4nie by Molmil
Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with small molecule ligand
Descriptor: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
Authors:Ma, Y.L, Yang, L.Q.
Deposit date:2013-11-06
Release date:2013-12-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of Tertiary Amine and Indole Derivatives as Potent ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 5, 2014
1GT0
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BU of 1gt0 by Molmil
Crystal structure of a POU/HMG/DNA ternary complex
Descriptor: 5'-D(*AP*TP*CP*CP*CP*AP*TP*TP*AP*GP* CP*AP*TP*CP*CP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3', 5'-D(*TP*TP*CP*TP*TP*TP*GP*TP*TP*TP* GP*GP*AP* TP*GP*CP*TP*AP*AP*TP*GP*GP*GP*A)-3', OCTAMER-BINDING TRANSCRIPTION FACTOR 1, ...
Authors:Remenyi, A, Wilmanns, M.
Deposit date:2002-01-09
Release date:2003-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of a POU/Hmg/DNA Ternary Complex Suggests Differential Assembly of Oct4 and Sox2 on Two Enhancers
Genes Dev., 17, 2003
1H0D
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BU of 1h0d by Molmil
Crystal structure of Human Angiogenin in complex with Fab fragment of its monoclonal antibody mAb 26-2F
Descriptor: ANGIOGENIN, ANTIBODY FAB FRAGMENT, HEAVY CHAIN, ...
Authors:Chavali, G.B, Papageorgiou, A.C, Acharya, K.R.
Deposit date:2002-06-19
Release date:2003-06-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of Human Angiogenin in Complex with an Antitumor Neutralizing Antibody
Structure, 11, 2003
1GV7
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BU of 1gv7 by Molmil
ARH-I, an angiogenin/RNase A chimera
Descriptor: ANGIOGENIN, CITRIC ACID
Authors:Holloway, D.E, Shapiro, R, Hares, M.C, Leonidas, D.D, Acharya, K.R.
Deposit date:2002-02-06
Release date:2002-08-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Guest-Host Crosstalk in an Angiogenin-RNase A Chimeric Protein
Biochemistry, 41, 2002
1CEY
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BU of 1cey by Molmil
ASSIGNMENTS, SECONDARY STRUCTURE, GLOBAL FOLD, AND DYNAMICS OF CHEMOTAXIS Y PROTEIN USING THREE-AND FOUR-DIMENSIONAL HETERONUCLEAR (13C,15N) NMR SPECTROSCOPY
Descriptor: CHEY
Authors:Moy, F.J, Lowry, D.F, Matsumura, P, Dahlquist, F.W, Krywko, J.E, Domaille, P.J.
Deposit date:1994-11-23
Release date:1995-02-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Assignments, secondary structure, global fold, and dynamics of chemotaxis Y protein using three- and four-dimensional heteronuclear (13C,15N) NMR spectroscopy.
Biochemistry, 33, 1994
2RET
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BU of 2ret by Molmil
The crystal structure of a binary complex of two pseudopilins: EpsI and EpsJ from the Type 2 Secretion System of Vibrio vulnificus
Descriptor: CHLORIDE ION, EpsJ, Pseudopilin EpsI, ...
Authors:Yanez, M.E, Korotkov, K.V, Abendroth, J, Hol, W.G.J.
Deposit date:2007-09-27
Release date:2008-02-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:The crystal structure of a binary complex of two pseudopilins: EpsI and EpsJ from the type 2 secretion system of Vibrio vulnificus.
J.Mol.Biol., 375, 2008
2X2F
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BU of 2x2f by Molmil
Dynamin 1 GTPase dimer, short axis form
Descriptor: DYNAMIN-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Chappie, J.S, Acharya, S, Leonard, M, Schmid, S.L, Dyda, F.
Deposit date:2010-01-13
Release date:2010-04-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:G Domain Dimerization Controls Dynamin'S Assembly-Stimulated Gtpase Activity.
Nature, 465, 2010
1J1A
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BU of 1j1a by Molmil
PANCREATIC SECRETORY PHOSPHOLIPASE A2 (IIa) WITH ANTI-INFLAMMATORY ACTIVITY
Descriptor: (S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID, CALCIUM ION, Phospholipase A2
Authors:Hansford, K.A, Reid, R.C, Clark, C.I, Tyndall, J.D.A, Whitehouse, M.W, Guthrie, T, McGeary, R.P, Schafer, K, Martin, J.L, Fairlie, D.P.
Deposit date:2002-12-03
Release date:2003-03-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:D-Tyrosine as a Chiral Precusor to Potent Inhibitors of Human Nonpancreatic Secretory Phospholipase A2 (IIa) with Antiinflammatory Activity
Chembiochem, 4, 2003
3BKD
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BU of 3bkd by Molmil
High resolution Crystal structure of Transmembrane domain of M2 protein
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Transmembrane Domain of Matrix protein M2, ...
Authors:Stouffer, A.L, Acharya, R, Salom, D.
Deposit date:2007-12-06
Release date:2008-01-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for the function and inhibition of an influenza virus proton channel
Nature, 451, 2008
1W4Q
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BU of 1w4q by Molmil
Binding of Nonnatural 3'-Nucleotides to Ribonuclease A
Descriptor: 2'-FLUORO-2'-DEOXYURIDINE 3'-MONOPHOSPHATE, PANCREATIC RIBONUCLEASE A
Authors:Jenkins, C.L, Thiyagarajan, N, Sweeney, R.Y, Guy, M.P, Kelemen, B.R, Acharya, K.R, Raines, R.T.
Deposit date:2004-07-27
Release date:2005-02-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Binding of Non-Natural 3'-Nucleotides to Ribonuclease A
FEBS J., 272, 2005
3CXK
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BU of 3cxk by Molmil
1.7 A Crystal structure of methionine-R-sulfoxide reductase from Burkholderia pseudomallei: crystallization in a microfluidic crystal card.
Descriptor: ACETATE ION, Methionine-R-sulfoxide reductase, ZINC ION
Authors:Lovell, S, Gerdts, C, Staker, B, Craigen, D, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-04-24
Release date:2008-05-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The plug-based nanovolume Microcapillary Protein Crystallization System (MPCS).
Acta Crystallogr.,Sect.D, 64, 2008
2PKN
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BU of 2pkn by Molmil
Crystal structure of M tuberculosis Adenosine Kinase complexed with AMP-PCP (non-hydrolyzable ATP analog)
Descriptor: Adenosine kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2007-04-18
Release date:2007-06-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High resolution crystal structures of Mycobacterium tuberculosis adenosine kinase: insights into the mechanism and specificity of this novel prokaryotic enzyme
J.Biol.Chem., 282, 2007
2X95
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BU of 2x95 by Molmil
Crystal structure of AnCE-lisinopril-tryptophan analogue, lisW-S complex
Descriptor: (S)-1-N2-(1-CARBOXY-3-PHENYLPROPYL)-L-LYSYL-L-TRYPTOPHAN, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R.
Deposit date:2010-03-14
Release date:2010-06-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs.
J.Mol.Biol., 400, 2010
3CLI
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BU of 3cli by Molmil
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) at 1.80 A Resolution
Descriptor: Allene Oxide Synthase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, D.-S, Nioche, P, Raman, C.S.
Deposit date:2008-03-19
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes
Nature, 455, 2008
2X96
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BU of 2x96 by Molmil
Crystal structure of AnCE-RXPA380 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ANGIOTENSIN CONVERTING ENZYME, ...
Authors:Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R.
Deposit date:2010-03-14
Release date:2010-06-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs.
J.Mol.Biol., 400, 2010
2PKK
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BU of 2pkk by Molmil
Crystal structure of M tuberculosis Adenosine Kinase complexed with 2-fluro adenosine
Descriptor: 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase
Authors:Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2007-04-17
Release date:2007-06-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:High resolution crystal structures of Mycobacterium tuberculosis adenosine kinase: insights into the mechanism and specificity of this novel prokaryotic enzyme
J.Biol.Chem., 282, 2007
4MQP
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BU of 4mqp by Molmil
Mycobaterium tuberculosis transaminase BioA complexed with 2-hydrazinylbenzo[d]thiazole
Descriptor: (4-{[(E)-1,3-benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
Authors:Finzel, B.C, Dai, R.
Deposit date:2013-09-16
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
3CXC
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BU of 3cxc by Molmil
The structure of an enhanced oxazolidinone inhibitor bound to the 50S ribosomal subunit of H. marismortui
Descriptor: (3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide, 23S RIBOSOMAL RNA, 5'-R(*CP*CP*A)-3', ...
Authors:Ippolito, J.A, Wang, D, Kanyo, Z.F, Duffy, E.M.
Deposit date:2008-04-24
Release date:2009-04-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design at the atomic level: design of biaryloxazolidinones as potent orally active antibiotics.
Bioorg.Med.Chem.Lett., 18, 2008
2XYD
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BU of 2xyd by Molmil
human Angiotenisn converting enzyme N-domain in complex with Phosphinic tripeptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, CHLORIDE ION, ...
Authors:Akif, M, Schwager, S.L, Anthony, C.S, Czarny, B, Beau, F, Dive, V, Sturrock, E.D, Acharya, K.R.
Deposit date:2010-11-17
Release date:2011-05-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Novel Mechanism of Inhibition of Human Angiotensin-I-Converting Enzyme (Ace) by a Highly Specific Phosphinic Tripeptide.
Biochem.J., 436, 2011
2X2E
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BU of 2x2e by Molmil
Dynamin GTPase dimer, long axis form
Descriptor: DYNAMIN-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Chappie, J.S, Acharya, S, Leonard, M, Schmid, S.L, Dyda, F.
Deposit date:2010-01-12
Release date:2010-04-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:G Domain Dimerization Controls Dynamin'S Assembly-Stimulated Gtpase Activity.
Nature, 465, 2010

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