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8DAA
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BU of 8daa by Molmil
Coevolved affibody-Z domain pair LL2.c7
Descriptor: Affibody LL2.FIVK, Immunoglobulin G-binding protein A, MALONATE ION
Authors:Jude, K.M, Yang, A, Garcia, K.C.
Deposit date:2022-06-13
Release date:2023-07-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
8DZ8
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BU of 8dz8 by Molmil
Neoleukin 4, a de novo designed IL-4 mimetic
Descriptor: neoleukin-4
Authors:Jude, K.M, Spangler, J.B, Garcia, K.C.
Deposit date:2022-08-06
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.972 Å)
Cite:Design of cell-type-specific hyperstable IL-4 mimetics via modular de novo scaffolds.
Nat.Chem.Biol., 19, 2023
8ENT
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BU of 8ent by Molmil
Interleukin-21 signaling complex with IL-21R and IL-2Rg
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Abhiraman, G.C, Jude, K.M, Garcia, K.C.
Deposit date:2022-09-30
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:A structural blueprint for interleukin-21 signal modulation.
Cell Rep, 42, 2023
8EWY
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BU of 8ewy by Molmil
Structure of Janus Kinase (JAK) dimer complexed with cytokine receptor intracellular domain
Descriptor: ADENOSINE, ADENOSINE-5'-DIPHOSPHATE, Interferon lambda receptor 1, ...
Authors:Caveney, N.A, Saxton, R.A, Waghray, D, Garcia, K.C.
Deposit date:2022-10-24
Release date:2023-03-08
Last modified:2023-03-22
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Structural basis of Janus kinase trans-activation.
Cell Rep, 42, 2023
3LB6
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BU of 3lb6 by Molmil
The structure of IL-13 in complex with IL-13Ralpha2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Interleukin-13, ...
Authors:Lupardus, P.J, Garcia, K.C, Birnbaum, M.E.
Deposit date:2010-01-07
Release date:2010-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Molecular basis for shared cytokine recognition revealed in the structure of an unusually high affinity complex between IL-13 and IL-13Ralpha2.
Structure, 18, 2010
2PXY
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BU of 2pxy by Molmil
Crystal structures of immune receptor complexes
Descriptor: H-2 class II histocompatibility antigen, A-U alpha chain, A-U beta chain, ...
Authors:Feng, D, Bond, C.J, Ely, L.K, Garcia, K.C.
Deposit date:2007-05-14
Release date:2007-10-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural evidence for a germline-encoded T cell receptor-major histocompatibility complex interaction 'codon'.
Nat.Immunol., 8, 2007
3PA8
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BU of 3pa8 by Molmil
Structure of the C. difficile TcdB cysteine protease domain in complex with a peptide inhibitor
Descriptor: CALCIUM ION, INOSITOL HEXAKISPHOSPHATE, N-acetylglycyl-N-[(3S)-1-hydroxy-5-methyl-2-oxohexan-3-yl]-L-serinamide, ...
Authors:Lupardus, P.J, Garcia, K.C.
Deposit date:2010-10-18
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational design of inhibitors and activity-based probes targeting Clostridium difficile virulence factor TcdB.
Chem.Biol., 17, 2010
4LDO
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BU of 4ldo by Molmil
Structure of beta2 adrenoceptor bound to adrenaline and an engineered nanobody
Descriptor: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, Camelid Antibody Fragment, L-EPINEPHRINE, ...
Authors:Ring, A.M, Manglik, A, Kruse, A.C, Enos, M.D, Weis, W.I, Garcia, K.C, Kobilka, B.K.
Deposit date:2013-06-24
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody.
Nature, 502, 2013
4LDE
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BU of 4lde by Molmil
Structure of beta2 adrenoceptor bound to BI167107 and an engineered nanobody
Descriptor: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Camelid Antibody Fragment, ...
Authors:Ring, A.M, Manglik, A, Kruse, A.C, Enos, M.D, Weis, W.I, Garcia, K.C, Kobilka, B.K.
Deposit date:2013-06-24
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody.
Nature, 502, 2013
4LDL
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BU of 4ldl by Molmil
Structure of beta2 adrenoceptor bound to hydroxybenzylisoproterenol and an engineered nanobody
Descriptor: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-[(1R)-1-hydroxy-2-{[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino}ethyl]benzene-1,2-diol, Camelid Antibody Fragment, ...
Authors:Ring, A.M, Manglik, A, Kruse, A.C, Enos, M.D, Weis, W.I, Garcia, K.C, Kobilka, B.K.
Deposit date:2013-06-24
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody.
Nature, 502, 2013
7R84
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BU of 7r84 by Molmil
Structure of mouse BAI1 (ADGRB1) TSR3 domain in P21 space group
Descriptor: Vasculostatin-120, alpha-D-mannopyranose, beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose
Authors:Miao, Y, Jude, K.M, Garcia, K.C.
Deposit date:2021-06-26
Release date:2021-11-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.336 Å)
Cite:RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development.
Cell, 184, 2021
7R85
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BU of 7r85 by Molmil
Structure of mouse Bai1 (ADGRB1) TSR3 domain
Descriptor: Vasculostatin-120, alpha-D-mannopyranose, beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose
Authors:Miao, Y, Jude, K.M, Garcia, K.C.
Deposit date:2021-06-26
Release date:2021-11-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development.
Cell, 184, 2021
7R86
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BU of 7r86 by Molmil
Structure of mouse BAI1 (ADGRB1) in complex with mouse Nogo receptor (RTN4R)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AMINOBENZOIC ACID, ...
Authors:Miao, Y, Jude, K.M, Garcia, K.C.
Deposit date:2021-06-26
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development.
Cell, 184, 2021
7RA9
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BU of 7ra9 by Molmil
Designed StabIL-2 seq1
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Interleukin-2, PHOSPHATE ION
Authors:Jude, K.M, Chu, A.E, Huang, P.-S, Garcia, K.C.
Deposit date:2021-06-30
Release date:2022-03-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Interleukin-2 superkines by computational design.
Proc.Natl.Acad.Sci.USA, 119, 2022
4KJY
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BU of 4kjy by Molmil
Complex of high-affinity SIRP alpha variant FD6 with CD47
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, High-affinity SIRPa variant FD6, Leukocyte surface antigen CD47, ...
Authors:Ring, A.M, Ozkan, E, Ho, C.C.M, Garcia, K.C.
Deposit date:2013-05-04
Release date:2013-06-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Engineered SIRP alpha variants as immunotherapeutic adjuvants to anticancer antibodies.
Science, 341, 2013
4MQS
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BU of 4mqs by Molmil
Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo
Descriptor: 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Muscarinic acetylcholine receptor M2, Nanobody 9-8
Authors:Kruse, A.C, Ring, A.M, Manglik, A, Hu, J, Hu, K, Eitel, K, Huebner, H, Pardon, E, Valant, C, Sexton, P.M, Christopoulos, A, Felder, C.C, Gmeiner, P, Steyaert, J, Weis, W.I, Garcia, K.C, Wess, J, Kobilka, B.K.
Deposit date:2013-09-16
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nature, 504, 2013
4MS8
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BU of 4ms8 by Molmil
42F3 TCR pCPB9/H-2Ld Complex
Descriptor: 42F3 alpha, 42F3 beta, H-2 class I histocompatibility antigen, ...
Authors:Birnbaum, M.E, Adams, J.J, Garcia, K.C.
Deposit date:2013-09-18
Release date:2014-09-24
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (1.922 Å)
Cite:Structural interplay between germline interactions and adaptive recognition determines the bandwidth of TCR-peptide-MHC cross-reactivity.
Nat. Immunol., 17, 2016
3PEE
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BU of 3pee by Molmil
Structure of the C. difficile TcdB cysteine protease domain
Descriptor: CALCIUM ION, INOSITOL HEXAKISPHOSPHATE, Toxin B
Authors:Lupardus, P.J, Garcia, K.C.
Deposit date:2010-10-26
Release date:2011-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Defining an allosteric circuit in the cysteine protease domain of Clostridium difficile toxins.
Nat.Struct.Mol.Biol., 18, 2011
3QIB
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BU of 3qib by Molmil
Crystal structure of the 2B4 TCR in complex with MCC/I-Ek
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B4 beta chain, DI(HYDROXYETHYL)ETHER, ...
Authors:Ely, L.K, Newell, E.W, Davis, M.M, Garcia, K.C.
Deposit date:2011-01-26
Release date:2011-04-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of specificity and cross-reactivity in T cell receptors specific for cytochrome c-I-E(k).
J.Immunol., 186, 2011
3QIW
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BU of 3qiw by Molmil
Crystal structure of the 226 TCR in complex with MCC-p5E/I-Ek
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 CLASS II HISTOCOMPATIBILITY ANTIGEN, E-K alpha chain, ...
Authors:Kruse, A.C, Ely, L.K, Newell, E.W, Davis, M.M, Garcia, K.C.
Deposit date:2011-01-27
Release date:2011-04-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of specificity and cross-reactivity in T cell receptors specific for cytochrome c-I-E(k).
J.Immunol., 186, 2011
3QB1
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BU of 3qb1 by Molmil
Interleukin-2 mutant D10
Descriptor: Interleukin-2
Authors:Levin, A.M, Bates, D.L, Ring, A.M, Lin, J.T, Su, L, Krieg, C, Bowman, G.R, Novick, P, Pande, V.S, Khort, H.E, Boyman, O, Fathman, C.G, Garcia, K.C.
Deposit date:2011-01-12
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Exploiting a natural conformational switch to engineer an interleukin-2 'superkine'
Nature, 484, 2012
3QIU
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BU of 3qiu by Molmil
Crystal structure of the 226 TCR in complex with MCC/I-Ek
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 CLASS II HISTOCOMPATIBILITY ANTIGEN, E-K alpha chain, ...
Authors:Kruse, A.C, Ely, L.K, Newell, E.W, Davis, M.M, Garcia, K.C.
Deposit date:2011-01-27
Release date:2011-04-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of specificity and cross-reactivity in T cell receptors specific for cytochrome c-I-E(k).
J.Immunol., 186, 2011
3S9D
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BU of 3s9d by Molmil
binary complex between IFNa2 and IFNAR2
Descriptor: CHLORIDE ION, Interferon alpha-2, Interferon alpha/beta receptor 2
Authors:Thomas, C, Garcia, K.C.
Deposit date:2011-06-01
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9999 Å)
Cite:Structural linkage between ligand discrimination and receptor activation by type I interferons.
Cell(Cambridge,Mass.), 146, 2011
3SE4
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BU of 3se4 by Molmil
human IFNw-IFNAR ternary complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interferon alpha/beta receptor 1, Interferon alpha/beta receptor 2, ...
Authors:Thomas, C, Garcia, K.C.
Deposit date:2011-06-10
Release date:2011-08-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.5001 Å)
Cite:Structural linkage between ligand discrimination and receptor activation by type I interferons.
Cell(Cambridge,Mass.), 146, 2011
3QAZ
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BU of 3qaz by Molmil
IL-2 mutant D10 ternary complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, Interleukin-2, ...
Authors:Levin, A.M, Bates, D.L, Ring, A.M, Lin, J.T, Su, L, Krieg, C, Bowman, G.R, Novick, P, Pande, V.S, Khort, H.E, Boyman, O, Gathman, C.G, Garcia, K.C.
Deposit date:2011-01-12
Release date:2012-04-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.802 Å)
Cite:Exploiting a natural conformational switch to engineer an interleukin-2 'superkine'
Nature, 484, 2012

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