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8JWN
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BU of 8jwn by Molmil
Crystal structure of AKRtyl-NADPH complex
Descriptor: Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Lin, S, Dai, S, Xiao, Z.
Deposit date:2023-06-29
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
8JWO
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BU of 8jwo by Molmil
Crystal structure of AKRtyl-tylosin complex
Descriptor: Aldo/keto reductase, TYLOSIN
Authors:Lin, S, Dai, S, Xiao, Z.
Deposit date:2023-06-29
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
8JWL
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BU of 8jwl by Molmil
The first purified state crystal structure of AKRtyl
Descriptor: Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Lin, S, Dai, S, Xiao, Z.
Deposit date:2023-06-29
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
8JWK
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BU of 8jwk by Molmil
The second purified state crystal structure of AKRtyl
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Lin, S, Dai, S, Xiao, Z.
Deposit date:2023-06-29
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
8JWM
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BU of 8jwm by Molmil
Crystal structure of AKRtyl-NADP-tylosin complex
Descriptor: Aldo/keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TYLOSIN
Authors:Lin, S, Dai, S, Xiao, Z.
Deposit date:2023-06-29
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
6ONI
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BU of 6oni by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with N-CoR peptide and inverse agonist T0070907
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, NCOR isoform c, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-04-22
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A molecular switch regulating transcriptional repression and activation of PPAR gamma.
Nat Commun, 11, 2020
6PDZ
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BU of 6pdz by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with SMRT peptide and inverse agonist T0070907
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-06-19
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A molecular switch regulating transcriptional repression and activation of PPAR gamma.
Nat Commun, 11, 2020
5E2P
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BU of 5e2p by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa light chain, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ...
Authors:Wei, A.
Deposit date:2015-10-01
Release date:2015-12-09
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
6LR1
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BU of 6lr1 by Molmil
Hexachlorobenzene Monooxygenase (HcbA1) from Nocardioides sp. strain PD653
Descriptor: Hexachlorobenzene oxidative dehalogenase
Authors:Guo, Y, Zheng, J.T, Zhou, N.Y.
Deposit date:2020-01-15
Release date:2020-01-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Hexachlorobenzene Monooxygenase Substrate Selectivity and Catalysis: Structural and Biochemical Insights.
Appl.Environ.Microbiol., 87, 2020
1CKB
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BU of 1ckb by Molmil
STRUCTURAL BASIS FOR THE SPECIFIC INTERACTION OF LYSINE-CONTAINING PROLINE-RICH PEPTIDES WITH THE N-TERMINAL SH3 DOMAIN OF C-CRK
Descriptor: C-CRK N-TERMINAL SH3 DOMAIN, SOS PEPTIDE (PRO-PRO-PRO-VAL-PRO-PRO-ARG-ARG-ARG-ARG)
Authors:Wu, X, Kuriyan, J.
Deposit date:1995-01-24
Release date:1995-05-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the specific interaction of lysine-containing proline-rich peptides with the N-terminal SH3 domain of c-Crk.
Structure, 3, 1995
1CKA
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BU of 1cka by Molmil
STRUCTURAL BASIS FOR THE SPECIFIC INTERACTION OF LYSINE-CONTAINING PROLINE-RICH PEPTIDES WITH THE N-TERMINAL SH3 DOMAIN OF C-CRK
Descriptor: C-CRK N-TERMINAL SH3 DOMAIN, C3G PEPTIDE (PRO-PRO-PRO-ALA-LEU-PRO-PRO-LYS-LYS-ARG)
Authors:Wu, X, Kuriyan, J.
Deposit date:1995-01-24
Release date:1995-05-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for the specific interaction of lysine-containing proline-rich peptides with the N-terminal SH3 domain of c-Crk.
Structure, 3, 1995
1BAK
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BU of 1bak by Molmil
SIGNAL TRANSDUCTION PLECKSTRIN HOMOLOGY DOMAIN OF G-PROTEIN COUPLED RECEPTOR KINASE 2 (BETA-ADRENERGIC RECEPTOR KINASE 1), C-TERMINAL EXTENDED, NMR, 20 STRUCTURES
Descriptor: G-PROTEIN COUPLED RECEPTOR KINASE 2
Authors:Fushman, D, Cowburn, D.
Deposit date:1997-11-21
Release date:1998-02-25
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structure and dynamics of the pleckstrin homology domain of G protein-coupled receptor kinase 2 (beta-adrenergic receptor kinase 1). A binding partner of Gbetagamma subunits.
J.Biol.Chem., 273, 1998
5Y83
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BU of 5y83 by Molmil
Crystal structure of YidC from Thermotoga maritima
Descriptor: Membrane protein insertase YidC
Authors:Huang, Y, Xin, Y.
Deposit date:2017-08-18
Release date:2018-07-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.842 Å)
Cite:Structure of YidC from Thermotoga maritima and its implications for YidC-mediated membrane protein insertion
FASEB J., 32, 2018
5Y82
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BU of 5y82 by Molmil
Crystal structure of the periplasmic domain of the Thermotoga maritima YidC
Descriptor: Membrane protein insertase YidC
Authors:Huang, Y, Xin, Y.
Deposit date:2017-08-18
Release date:2018-07-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.517 Å)
Cite:Structure of YidC from Thermotoga maritima and its implications for YidC-mediated membrane protein insertion
FASEB J., 32, 2018
6V2F
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BU of 6v2f by Molmil
Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207
Descriptor: HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
Authors:Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T.
Deposit date:2019-11-22
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Clinical targeting of HIV capsid protein with a long-acting small molecule.
Nature, 584, 2020
7XW7
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BU of 7xw7 by Molmil
TSHR-K1-70 complex
Descriptor: K1-70 scFv, Thyrotropin receptor
Authors:Duan, J, Xu, P, Luan, X, Ji, Y, Yuan, Q, He, X, Ye, J, Cheng, X, Jiang, H, Zhang, S, Jiang, Y, Xu, H.E.
Deposit date:2022-05-26
Release date:2022-08-17
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Hormone- and antibody-mediated activation of the thyrotropin receptor.
Nature, 609, 2022
1AWO
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BU of 1awo by Molmil
THE SOLUTION NMR STRUCTURE OF ABL SH3 AND ITS RELATIONSHIP TO SH2 IN THE SH(32) CONSTRUCT, 20 STRUCTURES
Descriptor: ABL TYROSINE KINASE
Authors:Cowburn, D.
Deposit date:1997-10-03
Release date:1998-01-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structure of Abl SH3, and its relationship to SH2 in the SH(32) construct.
Structure, 3, 1995
1RDQ
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BU of 1rdq by Molmil
Hydrolysis of ATP in the crystal of Y204A mutant of cAMP-dependent protein kinase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Yang, J, Ten Eyck, L.F, Xuong, N.H, Taylor, S.S.
Deposit date:2003-11-05
Release date:2004-04-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Crystal Structure of a cAMP-dependent Protein Kinase Mutant at 1.26A: New Insights into the Catalytic Mechanism.
J.Mol.Biol., 336, 2004
7KM5
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BU of 7km5 by Molmil
Crystal structure of SARS-CoV-2 RBD complexed with Nanosota-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Spike protein S1, ...
Authors:Ye, G, Shi, K, Aihara, H, Li, F.
Deposit date:2020-11-02
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:The development of Nanosota - 1 as anti-SARS-CoV-2 nanobody drug candidates.
Elife, 10, 2021
1EFN
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BU of 1efn by Molmil
HIV-1 NEF PROTEIN IN COMPLEX WITH R96I MUTANT FYN SH3 DOMAIN
Descriptor: FYN TYROSINE KINASE, HIV-1 NEF PROTEIN, TRIMETHYL LEAD ION
Authors:Lee, C.-H, Kuriyan, J.
Deposit date:1996-06-29
Release date:1997-01-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the conserved core of HIV-1 Nef complexed with a Src family SH3 domain.
Cell(Cambridge,Mass.), 85, 1996
6CKV
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BU of 6ckv by Molmil
Solution NMR structure of human BOK
Descriptor: Bcl-2-related ovarian killer protein
Authors:Grace, C.R, Zheng, J, Moldoveanu, T.
Deposit date:2018-03-01
Release date:2018-05-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Intrinsic Instability of BOK Enables Membrane Permeabilization in Apoptosis.
Cell Rep, 23, 2018
2JX0
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BU of 2jx0 by Molmil
The paxillin-binding domain (PBD) of G Protein Coupled Receptor (GPCR)-kinase (GRK) interacting protein 1 (GIT1)
Descriptor: ARF GTPase-activating protein GIT1
Authors:Zhang, Z, Guibao, C.D, Simmerman, J.A, Zheng, J.
Deposit date:2007-11-01
Release date:2008-04-29
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:GIT1 paxillin-binding domain is a four-helix bundle, and it binds to both paxillin LD2 and LD4 motifs.
J.Biol.Chem., 283, 2008
2LK4
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BU of 2lk4 by Molmil
Structural and mechanistic insights into the interaction between PAT Pyk2 and Paxillin LD motif
Descriptor: Protein-tyrosine kinase 2-beta
Authors:Vanarotti, M, Miller, D, Guibao, C, Zheng, J.
Deposit date:2011-10-04
Release date:2012-10-10
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural and Mechanistic Insights into the Interaction between Pyk2 and Paxillin LD Motifs.
J.Mol.Biol., 426, 2014
5ID6
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BU of 5id6 by Molmil
Structure of Cpf1/RNA Complex
Descriptor: Cpf1, MAGNESIUM ION, RNA (5'-R(P*AP*AP*UP*UP*UP*CP*UP*AP*CP*UP*AP*AP*GP*UP*GP*UP*AP*GP*AP*UP*C)-3')
Authors:Dong, D, Ren, K, Qiu, X, Wang, J, Huang, Z.
Deposit date:2016-02-24
Release date:2016-04-27
Last modified:2016-05-11
Method:X-RAY DIFFRACTION (2.382 Å)
Cite:The crystal structure of Cpf1 in complex with CRISPR RNA
Nature, 532, 2016
5WQT
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BU of 5wqt by Molmil
Structure of a protein involved in pyroptosis
Descriptor: CITRIC ACID, GLYCEROL, Gasdermin-D
Authors:Kuang, S, Li, J.
Deposit date:2016-11-28
Release date:2017-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structure insight of GSDMD reveals the basis of GSDMD autoinhibition in cell pyroptosis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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