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7P7B
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SARS-CoV-2 spike protein in complex with sybody no68 in a 1up/2down conformation
Descriptor: Spike glycoprotein
Authors:Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A.
Deposit date:2021-07-19
Release date:2021-08-04
Last modified:2022-04-20
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
5B5I
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BU of 5b5i by Molmil
The crystal structure of a crustacean hyperglycemic hormone precursor from the kuruma prawn
Descriptor: Crustacean hyperglycemic hormones 1, ETHANOL
Authors:Tsutsui, N, Nagata, K.
Deposit date:2016-05-10
Release date:2016-10-19
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Crystal structure of a crustacean hyperglycemic hormone (CHH) precursor suggests structural variety in the C-terminal regions of CHH superfamily members.
FEBS J., 283, 2016
6BFA
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BU of 6bfa by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1553
Descriptor: 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2017-10-26
Release date:2017-12-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
4ZYI
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BU of 4zyi by Molmil
Discovery of NVP-CGM097 - a highly potent and selective MDM2 inhibitor undergoing phase 1 clinical trials in p53wt tumors: Hdm2 (MDM2) complexed with cpd2
Descriptor: (S)-7-((R)-sec-butoxy)-1-(4-chlorophenyl)-6-methoxy-2-(4-(methyl(pyridin-4-ylmethyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2
Authors:Kallen, J.
Deposit date:2015-05-21
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors.
J.Med.Chem., 58, 2015
4ZYF
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BU of 4zyf by Molmil
Discovery of NVP-CGM097 - a highly potent and selective MDM2 inhibitor undergoing phase 1 clinical trials in p53wt tumors: Hdm2 (MDM2) complexed with NVP-CGM097
Descriptor: (S)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4S)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2
Authors:Kallen, J.
Deposit date:2015-05-21
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors.
J.Med.Chem., 58, 2015
1H2O
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BU of 1h2o by Molmil
SOLUTION STRUCTURE OF THE MAJOR CHERRY ALLERGEN PRU AV 1 MUTANT E45W
Descriptor: MAJOR ALLERGEN PRU AV 1
Authors:Neudecker, P, Lehmann, K, Nerkamp, J, Schweimer, K, Sticht, H, Boehm, M, Scheurer, S, Vieths, S, Roesch, P.
Deposit date:2002-08-12
Release date:2003-08-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mutational Epitope Analysis of Pru Av 1 and Api G 1, the Major Allergens of Cherry (Prunus Avium) and Celery (Apium Graveolens): Correlating Ige Reactivity with Three-Dimensional Structure
Biochem.J., 376, 2003
3UV1
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BU of 3uv1 by Molmil
Crystal structure a major allergen from dust mite
Descriptor: Der f 7 allergen
Authors:Tan, K.W, Kumar, T, Chew, F.T, Mok, Y.K.
Deposit date:2011-11-29
Release date:2012-10-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Der f 7, a Dust Mite Allergen from Dermatophagoides farinae.
Plos One, 7, 2012
1E09
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BU of 1e09 by Molmil
Solution Structure of the Major Cherry Allergen Pru av 1
Descriptor: PRU AV 1
Authors:Neudecker, P, Nerkamp, J, Schweimer, K, Sticht, H, Boehm, M, Scheurer, S, Vieths, S, Roesch, P.
Deposit date:2000-03-15
Release date:2001-03-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Allergic Cross-Reactivity Made Visible: The Solution Structure of the Major Cherry Allergen Pru Av 1
J.Biol.Chem., 276, 2001
1CSE
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BU of 1cse by Molmil
THE HIGH-RESOLUTION X-RAY CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN SUBTILISIN CARLSBERG AND EGLIN C, AN ELASTASE INHIBITOR FROM THE LEECH HIRUDO MEDICINALIS. STRUCTURAL ANALYSIS, SUBTILISIN STRUCTURE AND INTERFACE GEOMETRY
Descriptor: CALCIUM ION, EGLIN C, SUBTILISIN CARLSBERG
Authors:Bode, W.
Deposit date:1988-06-03
Release date:1988-07-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The high-resolution X-ray crystal structure of the complex formed between subtilisin Carlsberg and eglin c, an elastase inhibitor from the leech Hirudo medicinalis. Structural analysis, subtilisin structure and interface geometry.
Eur.J.Biochem., 166, 1987
1S6W
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BU of 1s6w by Molmil
Solution Structure of hybrid white striped bass hepcidin
Descriptor: Hepcidin
Authors:Babon, J.J, Singh, S, Pennington, M.W, Norton, R.S, Westerman, M.E.
Deposit date:2004-01-28
Release date:2004-12-14
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Bass hepcidin synthesis, solution structure, antimicrobial activities and synergism, and in vivo hepatic response to bacterial infections.
J.Biol.Chem., 280, 2005
1FCP
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BU of 1fcp by Molmil
FERRIC HYDROXAMATE UPTAKE RECEPTOR (FHUA) FROM E.COLI IN COMPLEX WITH BOUND FERRICHROME-IRON
Descriptor: 2-TRIDECANOYLOXY-PENTADECANOIC ACID, 3-OXO-PENTADECANOIC ACID, ACETOACETIC ACID, ...
Authors:Hofmann, E, Ferguson, A.D, Diederichs, K, Welte, W.
Deposit date:1998-10-14
Release date:1999-01-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Siderophore-mediated iron transport: crystal structure of FhuA with bound lipopolysaccharide.
Science, 282, 1998
3L4R
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BU of 3l4r by Molmil
Crystal structure of the dog lipocalin allergen Can f 2 and implications for cross-reactivity to the cat allergen Fel d 4
Descriptor: GLYCEROL, Minor allergen Can f 2
Authors:Madhurantakam, C, Nilsson, O.B, Gronlund, H, Achour, A.
Deposit date:2009-12-21
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal Structure of the Dog Lipocalin Allergen Can f 2: Implications for Cross-reactivity to the Cat Allergen Fel d 4
J.Mol.Biol., 401, 2010
2YCY
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BU of 2ycy by Molmil
TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND ANTAGONIST CYANOPINDOLOL
Descriptor: 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, BETA-1 ADRENERGIC RECEPTOR, SODIUM ION, ...
Authors:Moukhametzianov, R, Warne, T, Edwards, P.C, Serrano-Vega, M.J, Leslie, A.G.W, Tate, C.G, Schertler, G.F.X.
Deposit date:2011-03-17
Release date:2011-06-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Two Distinct Conformations of Helix 6 Observed in Antagonist-Bound Structures of a {Beta}1- Adrenergic Receptor.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YCZ
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BU of 2ycz by Molmil
TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND ANTAGONIST IODOCYANOPINDOLOL
Descriptor: 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1H-indole-2-carbonitrile, BETA-1 ADRENERGIC RECEPTOR, octyl 1-thio-beta-D-glucopyranoside
Authors:Moukhametzianov, R, Warne, T, Edwards, P.C, Serrano-Vega, M.J, Leslie, A.G.W, Tate, C.G, Schertler, G.F.X.
Deposit date:2011-03-17
Release date:2011-06-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Two Distinct Conformations of Helix 6 Observed in Antagonist-Bound Structures of a {Beta}1- Adrenergic Receptor.
Proc.Natl.Acad.Sci.USA, 108, 2011
8DB4
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BU of 8db4 by Molmil
Crystal structure of the peanut allergen Ara h 2 bound by two neutralizing antibodies 22S1 and 13T1
Descriptor: 1,2-ETHANEDIOL, 13T1 Heavy chain, 13T1 Light chain, ...
Authors:Min, J, Pedersen, L.C.
Deposit date:2022-06-14
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Immunotherapy-induced neutralizing antibodies disrupt allergen binding and sustain allergen tolerance in peanut allergy.
J.Clin.Invest., 133, 2023
2YCW
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BU of 2ycw by Molmil
TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND ANTAGONIST CARAZOLOL
Descriptor: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, BETA-1 ADRENERGIC RECEPTOR, HEGA-10, ...
Authors:Moukhametzianov, R, Warne, T, Edwards, P.C, Serrano-Vega, M.J, Leslie, A.G.W, Tate, C.G, Schertler, G.F.X.
Deposit date:2011-03-17
Release date:2011-06-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Two Distinct Conformations of Helix 6 Observed in Antagonist-Bound Structures of a Beta-1- Adrenergic Receptor.
Proc.Natl.Acad.Sci.USA, 108, 2011
2CFE
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BU of 2cfe by Molmil
The 1.5 A crystal structure of the Malassezia sympodialis Mala s 6 allergen, a member of the cyclophilin pan-allergen family
Descriptor: ALANINE, ALLERGEN, GLYCEROL, ...
Authors:Limacher, A, Glaser, A.G, Fluckiger, S, Scheynius, A, Scapozza, L, Crameri, R.
Deposit date:2006-02-20
Release date:2006-02-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Analysis of the cross-reactivity and of the 1.5 A crystal structure of the Malassezia sympodialis Mala s 6 allergen, a member of the cyclophilin pan-allergen family.
Biochem. J., 396, 2006
2YGU
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BU of 2ygu by Molmil
Crystal structure of fire ant venom allergen, Sol I 2
Descriptor: HEPTANE, VENOM ALLERGEN 2
Authors:Borer, A.S, Wassmann, P, Schirmer, T, Markovic-Housley, Z.
Deposit date:2011-04-20
Release date:2011-11-23
Last modified:2012-02-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Sol I 2, a Major Allergen from Fire Ant Venom
J.Mol.Biol., 415, 2012
5X7Y
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BU of 5x7y by Molmil
Crystal Structure of the Dog Lipocalin Allergen Can f 6
Descriptor: DI(HYDROXYETHYL)ETHER, Lipocalin-Can f 6 allergen
Authors:Yamamoto, K, Otani, T, Sugiura, K, Nakatsuji, M, Nishimura, S, Inui, T.
Deposit date:2017-02-28
Release date:2018-04-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of the dog allergen Can f 6 and structure-based implications of its cross-reactivity with the cat allergen Fel d 4.
Sci Rep, 9, 2019
8DCS
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BU of 8dcs by Molmil
Cryo-EM structure of cyanopindolol-bound beta1-adrenergic receptor in complex with heterotrimeric Gs-protein
Descriptor: 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, Endolysin,Endolysin,Beta-1 adrenergic receptor chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Su, M, Paknejad, N, Hite, R.K, Huang, X.Y.
Deposit date:2022-06-17
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structures of beta 1 -adrenergic receptor in complex with Gs and ligands of different efficacies.
Nat Commun, 13, 2022
8DCR
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BU of 8dcr by Molmil
Cryo-EM structure of dobutamine-bound beta1-adrenergic receptor in complex with heterotrimeric Gs-protein
Descriptor: DOBUTAMINE, Endolysin,Endolysin,Beta-1 adrenergic receptor chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Su, M, Paknejad, N, Hite, R.K, Huang, X.Y.
Deposit date:2022-06-17
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structures of beta 1 -adrenergic receptor in complex with Gs and ligands of different efficacies.
Nat Commun, 13, 2022
2VT4
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BU of 2vt4 by Molmil
TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND CYANOPINDOLOL
Descriptor: 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, BETA1 ADRENERGIC RECEPTOR, DECANE, ...
Authors:Warne, A, Serrano-Vega, M.J, Baker, J.G, Moukhametzianov, R, Edwards, P.C, Henderson, R, Leslie, A.G.W, Tate, C.G, Schertler, G.F.X.
Deposit date:2008-05-09
Release date:2008-06-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of a Beta1-Adrenergic G-Protein-Coupled Receptor.
Nature, 454, 2008
7W6P
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BU of 7w6p by Molmil
Cryo-EM structure of the alpha2A adrenergic receptor GoA signaling complex bound to a G protein biased agonist
Descriptor: Alpha-2A adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, J, Fink, E.A, Shoichet, B.K, Du, Y.
Deposit date:2021-12-02
Release date:2022-09-28
Last modified:2022-10-12
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Structure-based discovery of nonopioid analgesics acting through the alpha 2A -adrenergic receptor.
Science, 377, 2022
7W7E
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BU of 7w7e by Molmil
Cryo-EM structure of the alpha2A adrenergic receptor GoA signaling complex bound to a biased agonist
Descriptor: 5-(3-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,3,6-tetrahydropyridine, Alpha-2A adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xu, J, Fink, E.A, Shoichet, B.K, Du, Y.
Deposit date:2021-12-04
Release date:2022-09-28
Last modified:2022-10-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure-based discovery of nonopioid analgesics acting through the alpha 2A -adrenergic receptor.
Science, 377, 2022
2B5S
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Crystal structure of peach Pru p3, the prototypic member of the family of plant non-specific lipid transfer protein pan-allergens
Descriptor: HEPTANE, LAURIC ACID, Non-specific lipid transfer protein, ...
Authors:Pasquato, N, Berni, R, Folli, C, Folloni, S, Cianci, M, Pantano, S, Helliwell, R.J, Zanotti, G.
Deposit date:2005-09-29
Release date:2005-11-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of Peach Pru p 3, the Prototypic Member of the Family of Plant Non-specific Lipid Transfer Protein Pan-allergens
J.Mol.Biol., 356, 2006

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