8OQ7
 
 | | CryoEM structure of human rho1 GABAA receptor in complex with inhibitor TPMPA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DECANE, ... | | Authors: | Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E. | | Deposit date: | 2023-04-11 | | Release date: | 2023-08-30 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor.
Neuron, 111, 2023
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8OQ8
 | | CryoEM structure of human rho1 GABAA receptor in complex with pore blocker picrotoxin | | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, ... | | Authors: | Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E. | | Deposit date: | 2023-04-11 | | Release date: | 2023-08-30 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor.
Neuron, 111, 2023
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8OQA
 | | CryoEM structure of human rho1 GABAA receptor in complex with GABA and picrotoxin | | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E. | | Deposit date: | 2023-04-11 | | Release date: | 2023-08-30 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor.
Neuron, 111, 2023
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8OP9
 | | CryoEM structure of human rho1 GABAA receptor in complex with GABA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GAMMA-AMINO-BUTANOIC ACID, ... | | Authors: | Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E. | | Deposit date: | 2023-04-06 | | Release date: | 2023-08-30 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor.
Neuron, 111, 2023
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4MZ2
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4MZ3
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2KVM
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5TTS
 | | Jak3 with covalent inhibitor 4 | | Descriptor: | 1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, Tyrosine-protein kinase JAK3 | | Authors: | Vajdos, F.F. | | Deposit date: | 2016-11-04 | | Release date: | 2017-02-22 | | Last modified: | 2017-03-22 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
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5TTU
 | | Jak3 with covalent inhibitor 7 | | Descriptor: | 1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3 | | Authors: | Vajdos, F.F. | | Deposit date: | 2016-11-04 | | Release date: | 2017-02-22 | | Last modified: | 2017-03-22 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
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5TTV
 | | Jak3 with covalent inhibitor 6 | | Descriptor: | N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide, Tyrosine-protein kinase JAK3 | | Authors: | Vajdos, F.F. | | Deposit date: | 2016-11-04 | | Release date: | 2017-02-22 | | Last modified: | 2017-03-22 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
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4PAO
 | | A conserved phenylalanine as relay between the 5 helix and the GDP binding region of heterotrimeric G protein | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION | | Authors: | Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. | | Deposit date: | 2014-04-09 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | A Conserved Phenylalanine as a Relay between the alpha 5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein alpha Subunit.
J.Biol.Chem., 289, 2014
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4PAM
 | | A conserved phenylalanine as relay between the 5 helix and the GDP binding region of heterotrimeric G protein | | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. | | Deposit date: | 2014-04-09 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | A Conserved Phenylalanine as a Relay between the alpha 5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein alpha Subunit.
J.Biol.Chem., 289, 2014
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7X08
 | | S protein of SARS-CoV-2 in complex with 2G1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | | Authors: | Guo, Y.Y, Zhang, Y.Y, Zhou, Q. | | Deposit date: | 2022-02-21 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Broad ultra-potent neutralization of SARS-CoV-2 variants by monoclonal antibodies specific to the tip of RBD.
Cell Discov, 8, 2022
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5KDO
 | | Heterotrimeric complex of the 4 alanine insertion variant of the Gi alpha1 subunit and the Gbeta1-Ggamma1 | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, ... | | Authors: | Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. | | Deposit date: | 2016-06-08 | | Release date: | 2016-08-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Conserved Hydrophobic Core in G alpha i1 Regulates G Protein Activation and Release from Activated Receptor.
J.Biol.Chem., 291, 2016
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5KDL
 | | Crystal structure of the 4 alanine insertion variant of the Gi alpha1 subunit bound to GTPgammaS | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION | | Authors: | Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. | | Deposit date: | 2016-06-08 | | Release date: | 2016-08-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.665 Å) | | Cite: | A Conserved Hydrophobic Core in G alpha i1 Regulates G Protein Activation and Release from Activated Receptor.
J.Biol.Chem., 291, 2016
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6N90
 | | YoeB/ParE toxin from Agrobacterium tumefaciens | | Descriptor: | 6-tungstotellurate(VI), Uncharacterized protein | | Authors: | Bourne, C.R, Reddem, E.R. | | Deposit date: | 2018-11-30 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.755 Å) | | Cite: | Identifying a Molecular Mechanism That Imparts Species-Specific Toxicity to YoeB Toxins.
Front Microbiol, 11, 2020
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7OO5
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4PAN
 | | A conserved phenylalanine as relay between the 5 helix and the GDP binding region of heterotrimeric G protein | | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. | | Deposit date: | 2014-04-09 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Conserved Phenylalanine as a Relay between the alpha 5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein alpha Subunit.
J.Biol.Chem., 289, 2014
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4PAQ
 | | A conserved phenylalanine as relay between the 5 helix and the GDP binding region of heterotrimeric G protein | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION | | Authors: | Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. | | Deposit date: | 2014-04-09 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Conserved Phenylalanine as a Relay between the alpha 5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein alpha Subunit.
J.Biol.Chem., 289, 2014
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6BBU
 | | Crystal Structure of JAK1 in complex with compound 25 | | Descriptor: | N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK1 | | Authors: | Han, S. | | Deposit date: | 2017-10-19 | | Release date: | 2018-01-17 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
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6BBV
 | | Crystal Structure of JAK2 in complex with compound 25 | | Descriptor: | N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK2 | | Authors: | Han, S. | | Deposit date: | 2017-10-19 | | Release date: | 2018-01-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
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5O9A
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J-L504Y-N775S) in complex with glutamate and BPAM121 at 1.78 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide, CHLORIDE ION, ... | | Authors: | Laulumaa, S, Rovinskaja, K, Frydenvang, K.A, Kastrup, J.S. | | Deposit date: | 2017-06-16 | | Release date: | 2018-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | 7-Phenoxy-Substituted 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides as Positive Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors with Nanomolar Potency.
J. Med. Chem., 61, 2018
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5OEW
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with glutamate and positive allosteric modulator BPAM538 | | Descriptor: | 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, GLUTAMIC ACID, ... | | Authors: | Larsen, A.P, Frydenvang, K.A, Kastrup, J.S. | | Deposit date: | 2017-07-10 | | Release date: | 2018-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 7-Phenoxy-Substituted 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides as Positive Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors with Nanomolar Potency.
J. Med. Chem., 61, 2018
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8TY1
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5CGP
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