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4EA3
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BU of 4ea3 by Molmil
Structure of the N/OFQ Opioid Receptor in Complex with a Peptide Mimetic
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-benzyl-N-[3-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-D-prolinamide, ...
Authors:Thompson, A.A, Liu, W, Chun, E, Katritch, V, Wu, H, Vardy, E, Huang, X.P, Trapella, C, Guerrini, R, Calo, G, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2012-03-22
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.013 Å)
Cite:Structure of the nociceptin/orphanin FQ receptor in complex with a peptide mimetic.
Nature, 485, 2012
4EIY
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BU of 4eiy by Molmil
Crystal structure of the chimeric protein of A2aAR-BRIL in complex with ZM241385 at 1.8A resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Liu, W, Chun, E, Thompson, A.A, Chubukov, P, Xu, F, Katritch, V, Han, G.W, Heitman, L.H, Ijzerman, A.P, Cherezov, V, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2012-04-06
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for allosteric regulation of GPCRs by sodium ions.
Science, 337, 2012
3V2W
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BU of 3v2w by Molmil
Crystal Structure of a Lipid G protein-Coupled Receptor at 3.35A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sphingosine 1-phosphate receptor 1, Lysozyme chimera, ...
Authors:Hanson, M.A, Roth, C.B, Jo, E, Griffith, M.T, Scott, F.L, Reinhart, G, Desale, H, Clemons, B, Cahalan, S.M, Schuerer, S.C, Sanna, M.G, Han, G.W, Kuhn, P, Rosen, H, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2011-12-12
Release date:2012-02-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Crystal structure of a lipid G protein-coupled receptor.
Science, 335, 2012
3V2Y
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BU of 3v2y by Molmil
Crystal Structure of a Lipid G protein-Coupled Receptor at 2.80A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sphingosine 1-phosphate receptor 1, Lysozyme chimera (E.C.3.2.1.17), ...
Authors:Hanson, M.A, Roth, C.B, Jo, E, Griffith, M.T, Scott, F.L, Reinhart, G, Desale, H, Clemons, B, Cahalan, S.M, Schuerer, S.C, Sanna, M.G, Han, G.W, Kuhn, P, Rosen, H, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2011-12-12
Release date:2012-02-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a lipid G protein-coupled receptor.
Science, 335, 2012
6M9T
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BU of 6m9t by Molmil
Crystal structure of EP3 receptor bound to misoprostol-FA
Descriptor: (11alpha,12alpha,13E,16S)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, ...
Authors:Audet, M, White, K.L, Breton, B, Zarzycka, B, Han, G.W, Lu, Y, Gati, C, Batyuk, A, Popov, P, Velasquez, J, Manahan, D, Hu, H, Weierstall, U, Liu, W, Shui, W, Katrich, V, Cherezov, V, Hanson, M.A, Stevens, R.C.
Deposit date:2018-08-24
Release date:2018-12-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of misoprostol bound to the labor inducer prostaglandin E2receptor.
Nat. Chem. Biol., 15, 2019
6MTG
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BU of 6mtg by Molmil
A Single Reactive Noncanonical Amino Acid is Able to Dramatically Stabilize Protein Structure
Descriptor: DI(HYDROXYETHYL)ETHER, FORMIC ACID, GLYCEROL, ...
Authors:Li, J.C, Nasertorabi, F, Xuan, W, Han, G.W, Stevens, R.C, Schultz, P.G.
Deposit date:2018-10-19
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Single Reactive Noncanonical Amino Acid Is Able to Dramatically Stabilize Protein Structure.
Acs Chem.Biol., 14, 2019
6LN2
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BU of 6ln2 by Molmil
Crystal structure of full length human GLP1 receptor in complex with Fab fragment (Fab7F38)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab7F38_heavy chain, Fab7F38_light chain, ...
Authors:Wu, F, Yang, L, Hang, K, Laursen, M, Wu, L, Han, G.W, Ren, Q, Roed, N.K, Lin, G, Hanson, M, Jiang, H, Wang, M, Reedtz-Runge, S, Song, G, Stevens, R.C.
Deposit date:2019-12-28
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Full-length human GLP-1 receptor structure without orthosteric ligands.
Nat Commun, 11, 2020
2TOH
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BU of 2toh by Molmil
TYROSINE HYDROXYLASE CATALYTIC AND TETRAMERIZATION DOMAINS FROM RAT
Descriptor: 7,8-DIHYDROBIOPTERIN, CHLORIDE ION, FE (III) ION, ...
Authors:Goodwill, K.E, Sabatier, C, Stevens, R.C.
Deposit date:1998-08-26
Release date:1999-08-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of tyrosine hydroxylase with bound cofactor analogue and iron at 2.3 A resolution: self-hydroxylation of Phe300 and the pterin-binding site.
Biochemistry, 37, 1998
2VUA
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BU of 2vua by Molmil
Crystal Structure of the Botulinum Neurotoxin Serotype A binding domain
Descriptor: BOTULINUM NEUROTOXIN A HEAVY CHAIN
Authors:Stenmark, P, Dupuy, J, Stevens, R.C.
Deposit date:2008-05-22
Release date:2008-08-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Botulinum Neurotoxin Type a in Complex with the Cell Surface Co-Receptor Gt1B- Insight Into the Toxin-Neuron Interaction.
Plos Pathog., 4, 2008
2W1V
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BU of 2w1v by Molmil
Crystal structure of mouse nitrilase-2 at 1.4A resolution
Descriptor: NITRILASE HOMOLOG 2
Authors:Barglow, K.T, Saikatendu, K.S, Stevens, R.C, Cravatt, B.F.
Deposit date:2008-10-21
Release date:2008-12-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Functional Proteomic and Structural Insights Into Molecular Recognition in the Nitrilase Family Enzymes.
Biochemistry, 47, 2008
2VXR
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BU of 2vxr by Molmil
Crystal Structure of the Botulinum Neurotoxin serotype G binding domain
Descriptor: BOTULINUM NEUROTOXIN TYPE G, GLYCEROL, SULFATE ION
Authors:Stenmark, P, Dupuy, J, Stevens, R.C.
Deposit date:2008-07-08
Release date:2009-07-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Botulinum Neurotoxin Type G Binding Domain: Insight Into Cell Surface Binding.
J.Mol.Biol., 397, 2010
2WAP
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BU of 2wap by Molmil
3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with the drug-like urea inhibitor PF-3845
Descriptor: 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1, ...
Authors:Mileni, M, Kamtekar, S, Stevens, R.C.
Deposit date:2009-02-11
Release date:2009-05-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Characterization of a Highly Selective Faah Inhibitor that Reduces Inflammatory Pain.
Chem.Biol., 16, 2009
2VI6
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BU of 2vi6 by Molmil
Crystal Structure of the Nanog Homeodomain
Descriptor: HOMEOBOX PROTEIN NANOG
Authors:Jauch, R, Ng, C.K.L, Saitakendu, K.S, Stevens, R.C, Kolatkar, P.R.
Deposit date:2007-11-28
Release date:2008-01-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure and DNA Binding of the Homeodomain of the Stem Cell Transcription Factor Nanog.
J.Mol.Biol., 376, 2008
2WJ2
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BU of 2wj2 by Molmil
3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with 7-phenyl-1-(5-(pyridin-2-yl)oxazol-2-yl)heptan- 1-one, an alpha-ketooxazole
Descriptor: 7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol, CHLORIDE ION, FATTY ACID AMIDE HYDROLASE 1
Authors:Mileni, M, Garfunkle, J, DeMartino, J.K, Cravatt, B.F, Boger, D.L, Stevens, R.C.
Deposit date:2009-05-19
Release date:2009-09-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Binding and Inactivation Mechanism of a Humanized Fatty Acid Amide Hydrolase by Alpha-Ketoheterocycle Inhibitors Revealed from Cocrystal Structures.
J.Am.Chem.Soc., 131, 2009
2VYA
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BU of 2vya by Molmil
Crystal Structure of fatty acid amide hydrolase conjugated with the drug-like inhibitor PF-750
Descriptor: 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1, ...
Authors:Mileni, M, Johnson, D.S, Wang, Z, Everdeen, D.S, Liimatta, M, Pabst, B, Bhattacharya, K, Nugent, R.A, Kamtekar, S, Cravatt, B.F, Ahn, K, Stevens, R.C.
Deposit date:2008-07-22
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure-Guided Inhibitor Design for Human Faah by Interspecies Active Site Conversion.
Proc.Natl.Acad.Sci.USA, 105, 2008
2WJ1
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BU of 2wj1 by Molmil
3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with 7-phenyl-1-(4-(pyridin-2-yl)oxazol-2-yl)heptan- 1-one, an alpha-ketooxazole
Descriptor: 7-phenyl-1-(4-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1
Authors:Mileni, M, Garfunkle, J, DeMartino, J.K, Cravatt, B.F, Boger, D.L, Stevens, R.C.
Deposit date:2009-05-19
Release date:2009-09-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Binding and Inactivation Mechanism of a Humanized Fatty Acid Amide Hydrolase by Alpha-Ketoheterocycle Inhibitors Revealed from Cocrystal Structures.
J.Am.Chem.Soc., 131, 2009
2VU9
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BU of 2vu9 by Molmil
CRYSTAL STRUCTURE OF BOTULINUM NEUROTOXIN SEROTYPE A BINDING DOMAIN IN COMPLEX WITH GT1B
Descriptor: BOTULINUM NEUROTOXIN A HEAVY CHAIN, MAGNESIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Stenmark, P, Dupuy, J, Stevens, R.C.
Deposit date:2008-05-22
Release date:2008-08-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Botulinum Neurotoxin Type a in Complex with the Cell Surface Co-Receptor Gt1B- Insight Into the Toxin-Neuron Interaction.
Plos Pathog., 4, 2008
3IQS
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BU of 3iqs by Molmil
Crystal structure of the anti-viral APOBEC3G catalytic domain
Descriptor: DNA dC->dU-editing enzyme APOBEC-3G, ZINC ION
Authors:Holden, L.G, Prochnow, C, Chang, Y.P, Bransteitter, R, Chelico, L, Sen, U, Stevens, R.C, Goodman, R.F, Chen, X.S.
Deposit date:2009-08-20
Release date:2009-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the anti-viral APOBEC3G catalytic domain and functional implications.
Nature, 456, 2008
3K7F
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BU of 3k7f by Molmil
Crystal Structure Analysis of a Phenhexyl/Oxazole/Carboxypyridine alpha-Ketoheterocycle Inhibitor Bound to a Humanized Variant of Fatty Acid Amide Hydrolase'
Descriptor: 6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid, CHLORIDE ION, Fatty-acid amide hydrolase 1, ...
Authors:Mileni, M, Stevens, R.C, Boger, D.L.
Deposit date:2009-10-13
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:X-ray crystallographic analysis of alpha-ketoheterocycle inhibitors bound to a humanized variant of fatty acid amide hydrolase.
J.Med.Chem., 53, 2010
3K84
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BU of 3k84 by Molmil
Crystal Structure Analysis of a Oleyl/Oxadiazole/pyridine Inhibitor Bound to a Humanized Variant of Fatty Acid Amide Hydrolase
Descriptor: (9Z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one, CHLORIDE ION, Fatty-acid amide hydrolase 1
Authors:Mileni, M, Stevens, R.C, Boger, D.L.
Deposit date:2009-10-13
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:X-ray crystallographic analysis of alpha-ketoheterocycle inhibitors bound to a humanized variant of fatty acid amide hydrolase.
J.Med.Chem., 53, 2010
3K3Q
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BU of 3k3q by Molmil
Crystal Structure of a Llama Antibody complexed with the C. Botulinum Neurotoxin Serotype A Catalytic Domain
Descriptor: Botulinum neurotoxin type A, ZINC ION, llama Aa1 VHH domain
Authors:Thompson, A.A, Dong, J, Marks, J.D, Stevens, R.C.
Deposit date:2009-10-04
Release date:2010-02-23
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Single-Domain Llama Antibody Potently Inhibits the Enzymatic Activity of Botulinum Neurotoxin by Binding to the Non-Catalytic alpha-Exosite Binding Region.
J.Mol.Biol., 397, 2010
3K83
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BU of 3k83 by Molmil
Crystal Structure Analysis of a Biphenyl/Oxazole/Carboxypyridine alpha-ketoheterocycle Inhibitor Bound to a Humanized Variant of Fatty Acid Amide Hydrolase
Descriptor: 1-DODECANOL, 6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid, CHLORIDE ION, ...
Authors:Mileni, M, Stevens, R.C, Boger, D.L.
Deposit date:2009-10-13
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:X-ray crystallographic analysis of alpha-ketoheterocycle inhibitors bound to a humanized variant of fatty acid amide hydrolase.
J.Med.Chem., 53, 2010
5TGZ
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BU of 5tgz by Molmil
Crystal Structure of the Human Cannabinoid Receptor CB1
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate, Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1, ...
Authors:Hua, T, Vemuri, K, Pu, M, Qu, L, Han, G.W, Wu, Y, Zhao, S, Shui, W, Li, S, Korde, A, Laprairie, R.B, Stahl, E.L, Ho, J.H, Zvonok, N, Zhou, H, Kufareva, I, Wu, B, Zhao, Q, Hanson, M.A, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J.
Deposit date:2016-09-28
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Human Cannabinoid Receptor CB1.
Cell, 167, 2016
5TUD
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BU of 5tud by Molmil
Structural Insights into the Extracellular Recognition of the Human Serotonin 2B Receptor by an Antibody
Descriptor: 5-hydroxytryptamine receptor 2B,Soluble cytochrome b562 chimera, Anti-5-HT2B Fab heavy chain, Anti-5-HT2B Fab light chain, ...
Authors:Ishchenko, A, Wacker, D, Kapoor, M, Zhang, A, Han, G.W, Basu, S, Boutet, S, James, D, Wang, D, Weierstall, U, Liu, W, Katritch, V, Stevens, R.C, Cherezov, V.
Deposit date:2016-11-05
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into the extracellular recognition of the human serotonin 2B receptor by an antibody.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5UIW
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BU of 5uiw by Molmil
Crystal Structure of CC Chemokine Receptor 5 (CCR5) in complex with high potency HIV entry inhibitor 5P7-CCL5
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, C-C chemokine receptor type 5,Rubredoxin chimera, C-C motif chemokine 5, ...
Authors:Zheng, Y, Qin, L, Han, G.W, Gustavsson, M, Kawamura, T, Stevens, R.C, Cherezov, V, Kufareva, I, Handel, T.M.
Deposit date:2017-01-15
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Structure of CC Chemokine Receptor 5 with a Potent Chemokine Antagonist Reveals Mechanisms of Chemokine Recognition and Molecular Mimicry by HIV.
Immunity, 46, 2017

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