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1ON8
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Crystal structure of mouse alpha-1,4-N-acetylhexosaminyltransferase (EXTL2) with UDP and GlcUAb(1-3)Galb(1-O)-naphthalenelmethanol an acceptor substrate analog
Descriptor: 1,2-ETHANEDIOL, Alpha-1,4-N-acetylhexosaminyltransferase EXTL2, MANGANESE (II) ION, ...
Authors:Pedersen, L.C, Dong, J, Taniguchi, F, Kitagawa, H, Krahn, J.M, Pedersen, L.G, Sugahara, K, Negishi, M.
Deposit date:2003-02-27
Release date:2003-04-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of an alpha-1,4-N-acetylhexosaminyltransferase (EXTL2), a member of the exostosin gene family involved in heparan sulfate biosynthesis
J.Biol.Chem., 278, 2003
5VGY
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Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5S)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one, Carbonic anhydrase 2, SODIUM ION, ...
Authors:Peat, T.S.
Deposit date:2017-04-11
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
2CRS
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BU of 2crs by Molmil
CARDIOTOXIN III FROM TAIWAN COBRA (NAJA NAJA ATRA) DETERMINATION OF STRUCTURE IN SOLUTION AND COMPARISON WITH SHORT NEUROTOXINS
Descriptor: CARDIOTOXIN III
Authors:Bhaskaran, R, Huang, C.C, Chang, K.D, Yu, C.
Deposit date:1994-03-12
Release date:1994-11-01
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Cardiotoxin III from the Taiwan cobra (Naja naja atra). Determination of structure in solution and comparison with short neurotoxins.
J.Mol.Biol., 235, 1994
4H1E
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BU of 4h1e by Molmil
Structure of BACE-1 Bound to (7aR)-6-benzoyl-7a-(4-(3-cyanophenyl)thiophen-2-yl)-3-methyl-4-oxohexahydro-1H-pyrrolo[3,4-d]pyrimidin-2(3H)-iminium
Descriptor: 3-{5-[(2E,4aR,7aR)-6-benzoyl-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1
Authors:Orth, P.
Deposit date:2012-09-10
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
4O2C
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BU of 4o2c by Molmil
An Nt-acetylated peptide complexed with HLA-B*3901
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-39 alpha chain, ...
Authors:Sun, M, Liu, J, Qi, J, Tefsen, B, Shi, Y, Yan, J, Gao, G.F.
Deposit date:2013-12-17
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:N alpha-terminal acetylation for T cell recognition: molecular basis of MHC class I-restricted n alpha-acetylpeptide presentation
J.Immunol., 192, 2014
2F1N
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BU of 2f1n by Molmil
Structure of CdtB, the biologically active subunit of Cytolethal Distending Toxin
Descriptor: Cytolethal distending toxin subunit B
Authors:Hontz, J.S, Yoder, M.D, Dreyfus, L.A.
Deposit date:2005-11-14
Release date:2006-07-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Differences in Crystal and Solution Structures of the Cytolethal Distending Toxin B Subunit: RELEVANCE TO NUCLEAR TRANSLOCATION AND FUNCTIONAL ACTIVATION.
J.Biol.Chem., 281, 2006
4H3J
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Structure of BACE Bound to 2-fluoro-5-(5-(2-imino-3-methyl-4-oxo-6-phenyloctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-2-yl)benzonitrile
Descriptor: 2-fluoro-5-{5-[(2E,4aR,7aR)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Mandal, M.
Deposit date:2012-09-13
Release date:2012-10-17
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
1KN6
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BU of 1kn6 by Molmil
Solution Structure of the Mouse Prohormone Convertase 1 Pro-Domain
Descriptor: Prohormone Convertase 1
Authors:Tangrea, M.A, Bryan, P.N, Sari, N, Orban, J.
Deposit date:2001-12-18
Release date:2002-07-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the pro-hormone convertase 1 pro-domain from Mus musculus.
J.Mol.Biol., 320, 2002
1PU4
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BU of 1pu4 by Molmil
Crystal structure of human vascular adhesion protein-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Salminen, T.A, Airenne, T.T.
Deposit date:2003-06-24
Release date:2005-05-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the human vascular adhesion protein-1: unique structural features with functional implications.
Protein Sci., 14, 2005
1XDJ
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BU of 1xdj by Molmil
Crystal Structure of T. maritima Cobalamin-Independent Methionine Synthase complexed with Zn2+ and Homocysteine
Descriptor: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, MESO-ERYTHRITOL, ...
Authors:Pejchal, R, Ludwig, M.L.
Deposit date:2004-09-06
Release date:2005-03-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cobalamin-independent methionine synthase (MetE): a face-to-face double barrel that evolved by gene duplication
Plos Biol., 3, 2005
4H3F
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BU of 4h3f by Molmil
Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile
Descriptor: 3-{5-[(2E,4aR,7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Mandal, M.
Deposit date:2012-09-13
Release date:2012-11-07
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
4OD5
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BU of 4od5 by Molmil
Substrate-bound structure of a UbiA homolog from Aeropyrum pernix K1
Descriptor: 4-hydroxybenzoate octaprenyltransferase, GERANYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, ...
Authors:Li, W, Cheng, W.
Deposit date:2014-01-10
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.557 Å)
Cite:Structural insights into ubiquinone biosynthesis in membranes.
Science, 343, 2014
1JMF
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BU of 1jmf by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-09-13
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
1JMH
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BU of 1jmh by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-09-13
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
1JMI
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BU of 1jmi by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-09-13
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
2CRT
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BU of 2crt by Molmil
CARDIOTOXIN III FROM TAIWAN COBRA (NAJA NAJA ATRA) DETERMINATION OF STRUCTURE IN SOLUTION AND COMPARISON WITH SHORT NEUROTOXINS
Descriptor: CARDIOTOXIN III
Authors:Bhaskaran, R, Huang, C.C, Chang, K.D, Yu, C.
Deposit date:1994-03-12
Release date:1994-11-01
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Cardiotoxin III from the Taiwan cobra (Naja naja atra). Determination of structure in solution and comparison with short neurotoxins.
J.Mol.Biol., 235, 1994
4H3G
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BU of 4h3g by Molmil
Structure of BACE Bound to 2-((7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-2-imino-3-methyl-4-oxohexahydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)nicotinonitrile
Descriptor: 2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Mandal, M.
Deposit date:2012-09-13
Release date:2012-11-07
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
4HA5
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BU of 4ha5 by Molmil
Structure of BACE Bound to (S)-3-(5-(2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl)thiophen-3-yl)benzonitrile
Descriptor: 3-{5-[(2E,4S)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Mandal, M.
Deposit date:2012-09-25
Release date:2012-10-17
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
4OIH
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BU of 4oih by Molmil
Importin Alpha in Complex with the Bipartite NLS of Prp20
Descriptor: Guanine nucleotide exchange factor SRM1, Importin subunit alpha-1
Authors:Roman, N, Christie, M, Swarbrick, C.M.D, Kobe, B, Forwood, J.K.
Deposit date:2014-01-19
Release date:2014-02-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Characterisation of the Nuclear Import Receptor Importin Alpha in Complex with the Bipartite NLS of Prp20
Plos One, 8, 2013
3NG1
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BU of 3ng1 by Molmil
N AND GTPASE DOMAINS OF THE SIGNAL SEQUENCE RECOGNITION PROTEIN FFH FROM THERMUS AQUATICUS
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, SIGNAL SEQUENCE RECOGNITION PROTEIN FFH, ...
Authors:Freymann, D.M, Stroud, R.M, Walter, P.
Deposit date:1998-09-13
Release date:1999-07-30
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Functional changes in the structure of the SRP GTPase on binding GDP and Mg2+GDP.
Nat.Struct.Biol., 6, 1999
5TGM
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BU of 5tgm by Molmil
Crystal structure of the S.cerevisiae 80S ribosome in complex with the A-site bound aminoacyl-tRNA analog ACCA-Pro
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate), ...
Authors:Melnikov, S, Mailliot, J, Yusupov, M.
Deposit date:2016-09-28
Release date:2017-01-18
Last modified:2022-12-07
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Molecular insights into protein synthesis with proline residues.
EMBO Rep., 17, 2016
4PQQ
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BU of 4pqq by Molmil
The crystal structure of discoidin domain from muskelin
Descriptor: Muskelin, PHOSPHATE ION, TETRAETHYLENE GLYCOL
Authors:Kim, K.-H, Hong, S.K, Kim, E.E.
Deposit date:2014-03-04
Release date:2014-11-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of mouse muskelin discoidin domain and biochemical characterization of its self-association.
Acta Crystallogr.,Sect.D, 70, 2014
1NAS
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BU of 1nas by Molmil
SEPIAPTERIN REDUCTASE COMPLEXED WITH N-ACETYL SEROTONIN
Descriptor: N-ACETYL SEROTONIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXALOACETATE ION, ...
Authors:Auerbach, G, Herrmann, A, Bacher, A, Huber, R.
Deposit date:1998-03-26
Release date:1999-03-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters.
EMBO J., 16, 1997
4JP9
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BU of 4jp9 by Molmil
Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors
Descriptor: (4R)-2'-amino-6-(3-chlorophenyl)-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one, Beta-secretase 1, NICKEL (II) ION
Authors:Vigers, G.P.A, Smith, D.
Deposit date:2013-03-19
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species.
J.Med.Chem., 56, 2013
1VCC
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BU of 1vcc by Molmil
AMINO TERMINAL 9KDA DOMAIN OF VACCINIA VIRUS DNA TOPOISOMERASE I RESIDUES 1-77, EXPERIMENTAL ELECTRON DENSITY FOR RESIDUES 1-77
Descriptor: DNA TOPOISOMERASE I
Authors:Sharma, A, Hanai, R, Mondragon, A.
Deposit date:1995-10-02
Release date:1996-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the amino-terminal fragment of vaccinia virus DNA topoisomerase I at 1.6 A resolution.
Structure, 2, 1994

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