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2N2F
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BU of 2n2f by Molmil
Solution NMR structure of Dynorphin 1-13 bound to Kappa Opioid Receptor
Descriptor: Dynorphin A(1-13)
Authors:O'Connor, C, White, K, Doncescu, N, Didenko, T, Roth, B.L, Czaplicki, G, Stevens, R.C, Wuthrich, K, Milon, A.
Deposit date:2015-05-06
Release date:2015-09-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structure and dynamics of the agonist dynorphin peptide bound to the human kappa opioid receptor.
Proc.Natl.Acad.Sci.USA, 112, 2015
4O9R
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BU of 4o9r by Molmil
Human Smoothened Receptor structure in complex with cyclopamine
Descriptor: Cyclopamine, Smoothened homolog/Soluble cytochrome b562 chimeric protein
Authors:Wang, C, Weierstall, U, James, D, White, T.A, Wang, D, Liu, W, Spence, J.C.H, Doak, R.B, Nelson, G, Fromme, P, Fromme, R, Grotjohann, I, Kupitz, C, Zatsepin, N.A, Liu, H, Basu, S, Wacker, D, Han, G.W, Katritch, V, Boutet, S, Messerschmidt, M, Willams, G.J, Koglin, J.E, Seibert, M.M, Klinker, M, Gati, C, Shoeman, R.L, Barty, A, Chapman, H.N, Kirian, R.A, Beyerlein, K.R, Stevens, R.C, Li, D, Shah, S.T.A, Howe, N, Caffrey, M, Cherezov, V, GPCR Network (GPCR)
Deposit date:2014-01-02
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.204 Å)
Cite:Lipidic cubic phase injector facilitates membrane protein serial femtosecond crystallography.
Nat Commun, 5, 2014
2OG3
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BU of 2og3 by Molmil
structure of the rna binding domain of n protein from SARS coronavirus in cubic crystal form
Descriptor: Nucleocapsid protein
Authors:Saikatendu, K, Joseph, J, Subramanian, V, Neuman, B, Buchmeier, M, Stevens, R.C, Kuhn, P.
Deposit date:2007-01-05
Release date:2007-04-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ribonucleocapsid formation of severe acute respiratory syndrome coronavirus through molecular action of the N-terminal domain of N protein.
J.Virol., 81, 2007
2OFZ
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BU of 2ofz by Molmil
Ultrahigh Resolution Crystal Structure of RNA Binding Domain of SARS Nucleopcapsid (N Protein) at 1.1 Angstrom Resolution in Monoclinic Form.
Descriptor: 1,2-ETHANEDIOL, Nucleocapsid protein
Authors:Saikatendu, K, Joseph, J, Subramanian, V, Neuman, B, Buchmeier, M, Stevens, R.C, Kuhn, P.
Deposit date:2007-01-04
Release date:2007-04-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Ribonucleocapsid formation of severe acute respiratory syndrome coronavirus through molecular action of the N-terminal domain of N protein.
J.Virol., 81, 2007
4PAH
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BU of 4pah by Molmil
HUMAN PHENYLALANINE HYDROXYLASE CATALYTIC DOMAIN DIMER WITH BOUND NOR-ADRENALINE INHIBITOR
Descriptor: FE (III) ION, L-NOREPINEPHRINE, PHENYLALANINE HYDROXYLASE
Authors:Erlandsen, H, Flatmark, T, Stevens, R.C.
Deposit date:1998-08-20
Release date:1999-04-27
Last modified:2013-02-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic analysis of the human phenylalanine hydroxylase catalytic domain with bound catechol inhibitors at 2.0 A resolution.
Biochemistry, 37, 1998
4NTJ
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BU of 4ntj by Molmil
Structure of the human P2Y12 receptor in complex with an antithrombotic drug
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, P2Y purinoceptor 12,Soluble cytochrome b562,P2Y purinoceptor 12, ...
Authors:Zhang, K, Zhang, J, Gao, Z.-G, Zhang, D, Zhu, L, Han, G.W, Moss, S.M, Paoletta, S, Kiselev, E, Lu, W, Fenalti, G, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR)
Deposit date:2013-12-02
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structure of the human P2Y12 receptor in complex with an antithrombotic drug
Nature, 509, 2014
2OZK
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BU of 2ozk by Molmil
Structure of an N-Terminal Truncated Form of Nendou (NSP15) From SARS-CORONAVIRUS
Descriptor: Uridylate-specific endoribonuclease
Authors:Saikatendu, K, Joseph, J, Subramanian, V, Neuman, B, Buchmeier, M, Stevens, R.C, Kuhn, P.
Deposit date:2007-02-26
Release date:2007-05-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of a monomeric form of severe acute respiratory syndrome coronavirus endonuclease nsp15 suggests a role for hexamerization as an allosteric switch.
J.Virol., 81, 2007
4NC3
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BU of 4nc3 by Molmil
Crystal structure of the 5-HT2B receptor solved using serial femtosecond crystallography in lipidic cubic phase.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHOLESTEROL, ...
Authors:Liu, W, Wacker, D, Gati, C, Han, G.W, James, D, Wang, D, Nelson, G, Weierstall, U, Katritch, V, Barty, A, Zatsepin, N.A, Li, D, Messerschmidt, M, Boutet, S, Williams, G.J, Koglin, J.E, Seibert, M.M, Wang, C, Shah, S.T.A, Basu, S, Fromme, R, Kupitz, C, Rendek, K.N, Grotjohann, I, Fromme, P, Kirian, R.A, Beyerlein, K.R, White, T.A, Chapman, H.N, Caffrey, M, Spence, J.C.H, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2013-10-23
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Serial femtosecond crystallography of G protein-coupled receptors.
Science, 342, 2013
4OR2
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BU of 4or2 by Molmil
Human class C G protein-coupled metabotropic glutamate receptor 1 in complex with a negative allosteric modulator
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-fluoro-N-methyl-N-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide, CHOLESTEROL, ...
Authors:Wu, H, Wang, C, Gregory, K.J, Han, G.W, Cho, H.P, Xia, Y, Niswender, C.M, Katritch, V, Cherezov, V, Conn, P.J, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2014-02-10
Release date:2014-03-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator
Science, 344, 2014
4PY0
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BU of 4py0 by Molmil
Crystal structure of P2Y12 receptor in complex with 2MeSATP
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), P2Y purinoceptor 12, ...
Authors:Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR)
Deposit date:2014-03-25
Release date:2014-04-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Agonist-bound structure of the human P2Y12 receptor
Nature, 509, 2014
2NP0
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BU of 2np0 by Molmil
Crystal structure of the Botulinum neurotoxin type B complexed with synaptotagamin-II ectodomain
Descriptor: Botulinum neurotoxin type B, CALCIUM ION, CHLORIDE ION, ...
Authors:Chai, Q, Arndt, J.W, Stevens, R.C.
Deposit date:2006-10-26
Release date:2006-12-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural basis of cell surface receptor recognition by botulinum neurotoxin B.
Nature, 444, 2006
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
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
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
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
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
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
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
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
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
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
1ZB7
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BU of 1zb7 by Molmil
Crystal Structure of Botulinum Neurotoxin Type G Light Chain
Descriptor: CITRATE ANION, ZINC ION, neurotoxin
Authors:Arndt, J.W, Yu, W, Bi, F, Stevens, R.C.
Deposit date:2005-04-07
Release date:2005-07-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of botulinum neurotoxin type g light chain: serotype divergence in substrate recognition
Biochemistry, 44, 2005
1YSY
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BU of 1ysy by Molmil
NMR Structure of the nonstructural Protein 7 (nsP7) from the SARS CoronaVirus
Descriptor: Replicase polyprotein 1ab (pp1ab) (ORF1AB)
Authors:Peti, W, Herrmann, T, Johnson, M.A, Kuhn, P, Stevens, R.C, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
Deposit date:2005-02-09
Release date:2005-12-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural genomics of the severe acute respiratory syndrome coronavirus: nuclear magnetic resonance structure of the protein nsP7.
J.Virol., 79, 2005
1YBI
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BU of 1ybi by Molmil
Crystal structure of HA33A, a neurotoxin-associated protein from Clostridium botulinum type A
Descriptor: non-toxin haemagglutinin HA34
Authors:Arndt, J.W, Gu, J, Jaroszewski, L, Schwarzenbacher, R, Hanson, M, Lebeda, F.J, Stevens, R.C.
Deposit date:2004-12-20
Release date:2005-02-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Structure of the Neurotoxin-associated Protein HA33/A from Clostridium botulinum Suggests a Reoccurring beta-Trefoil Fold in the Progenitor Toxin Complex.
J.Mol.Biol., 346, 2005
1Y2M
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BU of 1y2m by Molmil
Crystal structure of phenylalanine ammonia-lyase from yeast Rhododporidium toruloides
Descriptor: Phenylalanine ammonia-lyase
Authors:Wang, L, Gamez, A, Sarkissian, C.N, Straub, M, Patch, M.G, Han, G.W, Scriver, C.R, Stevens, R.C.
Deposit date:2004-11-22
Release date:2005-11-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based chemical modification strategy for enzyme replacement treatment of phenylketonuria.
Mol.Genet.Metab., 86, 2005

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