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3MU3
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BU of 3mu3 by Molmil
Crystal structure of chicken MD-1 complexed with lipid IVa
Descriptor: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose, GLYCEROL, ...
Authors:Yoon, S.I, Hong, M, Han, G.W, Wilson, I.A.
Deposit date:2010-05-01
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of soluble MD-1 and its interaction with lipid IVa.
Proc.Natl.Acad.Sci.USA, 107, 2010
3N2J
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BU of 3n2j by Molmil
Azurin H117G, oxidized form
Descriptor: Azurin, COPPER (II) ION
Authors:Hoffmann, M, Alagaratnam, S, Canters, G.W, Einsle, O.
Deposit date:2010-05-18
Release date:2011-04-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Probing the reactivity of different forms of azurin by flavin photoreduction.
Febs J., 278, 2011
3PBL
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BU of 3pbl by Molmil
Structure of the human dopamine D3 receptor in complex with eticlopride
Descriptor: 3-chloro-5-ethyl-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide, D(3) dopamine receptor, Lysozyme chimera, ...
Authors:Chien, E.Y.T, Liu, W, Han, G.W, Katritch, V, Zhao, Q, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
Deposit date:2010-10-20
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure of the human dopamine d3 receptor in complex with a d2/d3 selective antagonist.
Science, 330, 2010
3PHY
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BU of 3phy by Molmil
PHOTOACTIVE YELLOW PROTEIN, DARK STATE (UNBLEACHED), SOLUTION STRUCTURE, NMR, 26 STRUCTURES
Descriptor: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
Authors:Dux, P, Rubinstenn, G, Vuister, G.W, Boelens, R, Mulder, F.A.A, Hard, K, Hoff, W.D, Kroon, A, Crielaard, W, Hellingwerf, K.J, Kaptein, R.
Deposit date:1998-02-06
Release date:1998-05-27
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of the photoactive yellow protein.
Biochemistry, 37, 1998
3QAK
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BU of 3qak by Molmil
Agonist bound structure of the human adenosine A2a receptor
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, Adenosine receptor A2a,lysozyme chimera
Authors:Xu, F, Wu, H, Katritch, V, Han, G.W, Cherezov, V, Stevens, R, GPCR Network (GPCR)
Deposit date:2011-01-11
Release date:2011-03-09
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structure of an agonist-bound human A2A adenosine receptor.
Science, 332, 2011
3QIX
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BU of 3qix by Molmil
Crystal Structure of BoNT/A LC with Zinc bound
Descriptor: 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ZINC ION
Authors:Thompson, A.A, Han, G.W, Stevens, R.C.
Deposit date:2011-01-28
Release date:2011-04-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.413 Å)
Cite:Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
3RZE
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BU of 3rze by Molmil
Structure of the human histamine H1 receptor in complex with doxepin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine, (3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine, ...
Authors:Shimamura, T, Han, G.W, Shiroishi, M, Weyand, S, Tsujimoto, H, Winter, G, Katritch, V, Abagyan, R, Cherezov, V, Liu, W, Kobayashi, T, Stevens, R, Iwata, S, GPCR Network (GPCR)
Deposit date:2011-05-11
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the human histamine H1 receptor complex with doxepin.
Nature, 475, 2011
3S2Y
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BU of 3s2y by Molmil
Crystal structure of a chromate/uranium reductase from Gluconacetobacter hansenii
Descriptor: CHLORIDE ION, Chromate reductase, FLAVIN MONONUCLEOTIDE, ...
Authors:Jin, H, Zhang, Y, Buchko, G.W, Li, P, Squier, T.C, Robinson, H, Varnum, S.M, Long, P.E.
Deposit date:2011-05-17
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.244 Å)
Cite:Structure Determination and Functional Analysis of a Chromate Reductase from Gluconacetobacter hansenii.
Plos One, 7, 2012
3PJJ
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BU of 3pjj by Molmil
Synthetic Dimer of Human Carbonic Anhydrase II
Descriptor: 1,1'-(oxydimethanediyl)dipyrrolidine-2,5-dione, Carbonic anhydrase 2, ZINC ION
Authors:Snyder, P.W, Kwant, R.L, Moustakas, D.T, Mack, E.T, Butte, M.J, Whitesides, G.W.
Deposit date:2010-11-10
Release date:2012-01-18
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:One Interface Stabilizes Linear Chains in All Polymorphs of Crystals of Human Carbonic Anhydrase II
To be Published
3PS5
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BU of 3ps5 by Molmil
Crystal structure of the full-length Human Protein Tyrosine Phosphatase SHP-1
Descriptor: SULFATE ION, Tyrosine-protein phosphatase non-receptor type 6
Authors:Wang, W, Liu, L, Song, X, Mo, Y, Komma, C, Bellamy, H.D, Zhao, Z.J, Zhou, G.W.
Deposit date:2010-11-30
Release date:2011-04-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of human protein tyrosine phosphatase SHP-1 in the open conformation.
J.Cell.Biochem., 112, 2011
3PME
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BU of 3pme by Molmil
Crystal structure of the receptor binding domain of botulinum neurotoxin C/D mosaic serotype
Descriptor: GLYCEROL, SULFATE ION, Type C neurotoxin
Authors:Zhang, Y, Buchko, G.W, Qin, L, Robinson, H, Varnum, S.M, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-11-16
Release date:2010-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structure of the receptor binding domain of the botulinum C-D mosaic neurotoxin reveals potential roles of lysines 1118 and 1136 in membrane interactions.
Biochem.Biophys.Res.Commun., 404, 2011
3SC8
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BU of 3sc8 by Molmil
Crystal structure of an intramolecular human telomeric DNA G-quadruplex bound by the naphthalene diimide BMSG-SH-3
Descriptor: 2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, Human telomeric repeat sequence, POTASSIUM ION
Authors:Collie, G.W, Promontorio, R, Parkinson, G.N.
Deposit date:2011-06-07
Release date:2012-02-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Structural basis for telomeric g-quadruplex targeting by naphthalene diimide ligands.
J.Am.Chem.Soc., 134, 2012
3QJ0
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BU of 3qj0 by Molmil
Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-3
Descriptor: (4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide, 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ...
Authors:Thompson, A.A, Han, G.W, Stevens, R.C.
Deposit date:2011-01-28
Release date:2011-04-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
3QIZ
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BU of 3qiz by Molmil
Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-2
Descriptor: (2S,4R)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide, Botulinum neurotoxin type A, DI(HYDROXYETHYL)ETHER, ...
Authors:Thompson, A.A, Han, G.W, Stevens, R.C.
Deposit date:2011-01-28
Release date:2011-04-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
3T5E
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BU of 3t5e by Molmil
Crystal structure of an intramolecular human telomeric DNA G-quadruplex bound by the naphthalene diimide BMSG-SH-4
Descriptor: 2,7-bis[4-(4-methylpiperazin-1-yl)butyl]-4,9-bis{[4-(4-methylpiperazin-1-yl)butyl]amino}benzo[lmn][3,8]phenanthroline-1 ,3,6,8(2H,7H)-tetrone, POTASSIUM ION, human telomeric DNA sequence
Authors:Collie, G.W, Promontorio, R, Parkinson, G.N.
Deposit date:2011-07-27
Release date:2012-02-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for telomeric g-quadruplex targeting by naphthalene diimide ligands.
J.Am.Chem.Soc., 134, 2012
3QCR
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BU of 3qcr by Molmil
Incomplete structural model of a human telomeric DNA quadruplex-acridine complex.
Descriptor: Human telomeric repeat deoxyribonucleic acid, N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide], POTASSIUM ION
Authors:Collie, G.W, Neidle, S, Parkinson, G.N.
Deposit date:2011-01-17
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of telomeric RNA quadruplex-acridine ligand recognition.
J.Am.Chem.Soc., 133, 2011
3QIY
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BU of 3qiy by Molmil
Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-1
Descriptor: 1,2-ETHANEDIOL, 4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide, Botulinum neurotoxin type A, ...
Authors:Thompson, A.A, Han, G.W, Stevens, R.C.
Deposit date:2011-01-28
Release date:2011-04-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
3TU8
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BU of 3tu8 by Molmil
Crystal Structure of the Burkholderia Lethal Factor 1 (BLF1)
Descriptor: BROMIDE ION, Burkholderia Lethal Factor 1 (BLF1)
Authors:Cruz, A, Hautbergue, G.M, Artymiuk, P.J, Baker, P.J, Chang, C.T, Mahadi, N.M, Mobbs, G.W, Mohamed, R, Nathan, S, Partridge, L.J, Raih, M.F, Ruzheinikov, S.N, Sedelnikova, S.E, Wilson, S.A, Rice, D.W.
Deposit date:2011-09-16
Release date:2011-11-30
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:A Burkholderia pseudomallei toxin inhibits helicase activity of translation factor eIF4A.
Science, 334, 2011
3BOS
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BU of 3bos by Molmil
Crystal structure of a putative dna replication regulator HDA (SAMA_1916) from Shewanella amazonensis sb2b at 1.75 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, CYTIDINE-5'-DIPHOSPHATE, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-12-17
Release date:2008-01-15
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A structural basis for the regulatory inactivation of DnaA.
J.Mol.Biol., 385, 2009
8V1K
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BU of 8v1k by Molmil
Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Francisella tularensis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Outer-membrane lipoprotein carrier protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-11-20
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Francisella tularensis
To be published
8UZ8
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BU of 8uz8 by Molmil
Crystal Structure of CiaD from Campylobacter jejuni (C-terminal fragment, Orthorhombic P form)
Descriptor: 1,4-BUTANEDIOL, 2-oxoglutarate:acceptor oxidoreductase, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-11-14
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of CiaD from Campylobacter jejuni (C-terminal fragment, Orthorhombic P form)
To be published
6RS6
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BU of 6rs6 by Molmil
X-ray crystal structure of LsAA9B
Descriptor: AA9, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L.
Deposit date:2019-05-21
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases.
J.Biol.Chem., 294, 2019
7S5O
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BU of 7s5o by Molmil
Crystal structure of Cytochrome c' beta from Nitrosomonas europaea ATCC 19718
Descriptor: ACETATE ION, Cytochrome_P460 domain-containing protein, HEME C, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-09-11
Release date:2022-03-30
Last modified:2022-04-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Characterization of Cytochrome c ' beta-Met from an Ammonia-Oxidizing Bacterium.
Biochemistry, 61, 2022
8HWY
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BU of 8hwy by Molmil
Ancestral imine reductase mutant N559_M6
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ancestral imine reductase mutant N559_M6
Authors:Zhu, X.X.
Deposit date:2023-01-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:The evolution of stereoselectivity in imine reductase
To Be Published
4XJ8
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BU of 4xj8 by Molmil
Crystal structure of apo NanB sialidase from streptococcus pneumoniae at pH 5.0 in 50mM sodium Acetate with DMSO
Descriptor: Sialidase B
Authors:Brear, P.
Deposit date:2015-01-08
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.749 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published

221051

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