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2X8Y
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Crystal structure of AnCE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN CONVERTING ENZYME, CITRATE ANION, ...
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:2023-12-20
Method:X-RAY DIFFRACTION (1.9 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
2X96
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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
2X90
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BU of 2x90 by Molmil
Crystal structure of AnCE-enalaprilat complex
Descriptor: 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-L-PROLINE, 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:2023-12-20
Method:X-RAY DIFFRACTION (1.98 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
2X8Z
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BU of 2x8z by Molmil
Crystal structure of AnCE-captopril complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN CONVERTING ENZYME, L-CAPTOPRIL, ...
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:2023-12-20
Method:X-RAY DIFFRACTION (1.98 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
2X94
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BU of 2x94 by Molmil
Crystal structure of AnCE-perindoprilat 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 (1.88 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
2X91
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Crystal structure of AnCE-lisinopril 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 (1.98 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
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
2X97
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Crystal structure of AnCE-RXP407 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN CONVERTING ENZYME, N~2~-acetyl-N-{(1R)-1-[(S)-[(2S)-3-{[(2S)-1-amino-1-oxopropan-2-yl]amino}-2-methyl-3-oxopropyl](hydroxy)phosphoryl]-2-phenylethyl}-L-alpha-asparagine, ...
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
2X92
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BU of 2x92 by Molmil
Crystal structure of AnCE-ramiprilat 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 (2.11 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
3AFJ
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BU of 3afj by Molmil
Crystal Structure of Cellvibrio gilvus Cellobiose Phosphorylase triple mutant
Descriptor: Cellobiose Phosphorylase, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Hidaka, M, Ogawa, N, Fushinobu, S.
Deposit date:2010-03-04
Release date:2011-03-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineering of cellobiose phosphorylase
To be Published
2UVM
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BU of 2uvm by Molmil
Structure of PKBalpha PH domain in complex with a novel inositol headgroup surrogate, benzene 1,2,3,4-tetrakisphosphate
Descriptor: BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)], RAC-ALPHA SERINE/THREONINE-PROTEIN KINASE, SODIUM ION
Authors:Komander, D, Mills, S.J, Trusselle, M.N, Safrany, S.T, van Aalten, D.M.F, Potter, B.V.L.
Deposit date:2007-03-12
Release date:2007-04-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Novel Inositol Phospholipid Headgroup Surrogate Crystallised in the Pleckstrin Homology Domain of Protein Kinase Balpha.
Acs Chem.Biol., 2, 2007
2WIY
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BU of 2wiy by Molmil
Cytochrome P450 XplA heme domain P21212
Descriptor: 1,2-ETHANEDIOL, CYTOCHROME P450-LIKE PROTEIN XPLA, IMIDAZOLE, ...
Authors:Sabbadin, F, Jackson, R, Bruce, N.C, Grogan, G.
Deposit date:2009-05-18
Release date:2009-08-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:The 1.5-A Structure of Xpla-Heme, an Unusual Cytochrome P450 Heme Domain that Catalyzes Reductive Biotransformation of Royal Demolition Explosive.
J.Biol.Chem., 284, 2009
2VWA
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BU of 2vwa by Molmil
Crystal structure of a sporozoite protein essential for liver stage development of malaria parasite
Descriptor: PHOSPHATIDYLETHANOLAMINE, PUTATIVE UNCHARACTERIZED PROTEIN PF13_0012
Authors:Sharma, A, Sharma, A, Yogavel, M, Gill, J, Akhouri, R.R.
Deposit date:2008-06-20
Release date:2008-07-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Soluble Domain of Malaria Sporozoite Protein Uis3 in Complex with Lipid.
J.Biol.Chem., 283, 2008
2WIV
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BU of 2wiv by Molmil
Cytochrome-P450 XplA heme domain P21
Descriptor: CYTOCHROME P450-LIKE PROTEIN XPLA, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sabbadin, F, Jackson, R, Bruce, N.C, Grogan, G.
Deposit date:2009-05-18
Release date:2009-08-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The 1.5-A Structure of Xpla-Heme, an Unusual Cytochrome P450 Heme Domain that Catalyzes Reductive Biotransformation of Royal Demolition Explosive.
J.Biol.Chem., 284, 2009
7K41
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BU of 7k41 by Molmil
Bacterial O-GlcNAcase (OGA) with compound
Descriptor: 1,2-ETHANEDIOL, 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine, ACETATE ION, ...
Authors:Lane, W, Tjhen, R, Snell, G, Sang, B.
Deposit date:2020-09-14
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a Novel and Brain-Penetrant O -GlcNAcase Inhibitor via Virtual Screening, Structure-Based Analysis, and Rational Lead Optimization.
J.Med.Chem., 64, 2021
7NL2
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BU of 7nl2 by Molmil
Structure of Xyn11 from Pseudothermotoga thermarum
Descriptor: 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-xylanase, GLYCEROL
Authors:Jimenez-Ortega, E, Sanz-Aparicio, J.
Deposit date:2021-02-22
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Phylogenetic, functional and structural characterization of a GH10 xylanase active at extreme conditions of temperature and alkalinity
Comput Struct Biotechnol J, 19, 2021
1E69
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BU of 1e69 by Molmil
SMC head domain from Thermotoga maritima
Descriptor: CHROMOSOME SEGREGATION SMC PROTEIN
Authors:Lowe, J, Cordell, S.C, van den Ent, F.
Deposit date:2000-08-09
Release date:2000-08-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of the Smc Head Domain: An Abc ATPase with 900 Residues Antiparallel Coiled-Coil Inserted
J.Mol.Biol., 306, 2001
1MKY
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BU of 1mky by Molmil
Structural Analysis of the Domain Interactions in Der, a Switch Protein Containing Two GTPase Domains
Descriptor: GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, Probable GTP-binding protein engA
Authors:Robinson, V.L, Hwang, J, Fox, E, Inouye, M, Stock, A.M.
Deposit date:2002-08-29
Release date:2003-01-14
Last modified:2015-02-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Domain Arrangement of Der, a Switch Protein Containing Two GTPase Domains
Structure, 10, 2002
1MJY
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BU of 1mjy by Molmil
STRUCTURE OF INORGANIC PYROPHOSPHATASE MUTANT D70N
Descriptor: INORGANIC PYROPHOSPHATASE
Authors:Oganesyan, V, Harutyunyan, E.H, Avaeva, S.M, Huber, R.
Deposit date:1997-02-08
Release date:1997-12-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Three-dimensional structures of mutant forms of E. coli inorganic pyrophosphatase with Asp-->Asn single substitution in positions 42, 65, 70, and 97.
Biochemistry Mosc., 63, 1998
1MJW
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BU of 1mjw by Molmil
STRUCTURE OF INORGANIC PYROPHOSPHATASE MUTANT D42N
Descriptor: INORGANIC PYROPHOSPHATASE, SULFATE ION
Authors:Oganesyan, V, Harutyunyan, E.H, Avaeva, S.M, Samygina, V.R, Huber, R.
Deposit date:1997-02-08
Release date:1997-12-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Three-dimensional structures of mutant forms of E. coli inorganic pyrophosphatase with Asp-->Asn single substitution in positions 42, 65, 70, and 97.
Biochemistry Mosc., 63, 1998
1MJX
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BU of 1mjx by Molmil
STRUCTURE OF INORGANIC PYROPHOSPHATASE MUTANT D65N
Descriptor: INORGANIC PYROPHOSPHATASE, SULFATE ION
Authors:Oganesyan, V, Harutyunyan, E.H, Avaeva, S.M, Huber, R.
Deposit date:1997-02-08
Release date:1997-12-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Three-dimensional structures of mutant forms of E. coli inorganic pyrophosphatase with Asp-->Asn single substitution in positions 42, 65, 70, and 97.
Biochemistry Mosc., 63, 1998
3DES
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BU of 3des by Molmil
Crystal structure of dipeptide epimerase from Thermotoga maritima complexed with L-Ala-L-Phe dipeptide
Descriptor: ALANINE, MAGNESIUM ION, Muconate cycloisomerase, ...
Authors:Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C.
Deposit date:2008-06-10
Release date:2008-11-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a dipeptide epimerase enzymatic function guided by homology modeling and virtual screening.
Structure, 16, 2008
3DER
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BU of 3der by Molmil
Crystal structure of dipeptide epimerase from Thermotoga maritima complexed with L-Ala-L-Lys dipeptide
Descriptor: ALANINE, LYSINE, MAGNESIUM ION, ...
Authors:Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C.
Deposit date:2008-06-10
Release date:2008-11-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a dipeptide epimerase enzymatic function guided by homology modeling and virtual screening.
Structure, 16, 2008
3DEQ
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BU of 3deq by Molmil
Crystal structure of dipeptide epimerase from Thermotoga maritima complexed with L-Ala-L-Leu dipeptide
Descriptor: ALANINE, LEUCINE, MAGNESIUM ION, ...
Authors:Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C.
Deposit date:2008-06-10
Release date:2008-11-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a dipeptide epimerase enzymatic function guided by homology modeling and virtual screening.
Structure, 16, 2008
1EUE
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BU of 1eue by Molmil
RAT OUTER MITOCHONDRIAL MEMBRANE CYTOCHROME B5
Descriptor: CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE
Authors:Oganesyan, V, Zhang, X.
Deposit date:2000-04-19
Release date:2001-04-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Modulation of redox potential in electron transfer proteins: effects of complex formation on the active site microenvironment of cytochrome b5.
FARADAY DISC.CHEM.SOC, 116, 2001

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