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5DW0
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BU of 5dw0 by Molmil
TrpB from Pyrococcus furiosus with L-serine bound as the external aldimine
Descriptor: SODIUM ION, Tryptophan synthase beta chain 1, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
Authors:Buller, A.R, Arnold, F.H.
Deposit date:2015-09-22
Release date:2015-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
5DW3
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BU of 5dw3 by Molmil
Tryptophan Synthase beta-subunit from Pyrococcus furiosus with product L-tryptophan non-covalently bound in the active site
Descriptor: PHOSPHATE ION, SODIUM ION, TRYPTOPHAN, ...
Authors:Buller, A.R, Arnold, F.H.
Deposit date:2015-09-22
Release date:2015-11-11
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
5DVZ
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BU of 5dvz by Molmil
Holo TrpB from Pyrococcus furiosus
Descriptor: PHOSPHATE ION, SODIUM ION, Tryptophan synthase beta chain 1
Authors:Buller, A.R, Arnold, F.H.
Deposit date:2015-09-21
Release date:2016-02-03
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
5E0K
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BU of 5e0k by Molmil
X-ray crystal structure of tryptophan synthase complex from Pyrococcus furiosus at 2.76 A
Descriptor: PHOSPHATE ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain 1
Authors:Buller, A.R, Murciano-Calles, J, Arnold, F.H.
Deposit date:2015-09-29
Release date:2015-11-11
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
6LAN
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BU of 6lan by Molmil
Structure of CCDC50 and LC3B complex
Descriptor: Coiled-coil domain-containing protein 50,Microtubule-associated proteins 1A/1B light chain 3B
Authors:Liu, L, Li, J, Hou, P.
Deposit date:2019-11-12
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:A novel selective autophagy receptor, CCDC50, delivers K63 polyubiquitination-activated RIG-I/MDA5 for degradation during viral infection.
Cell Res., 31, 2021
4IOP
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BU of 4iop by Molmil
Crystal structure of NKp65 bound to its ligand KACL
Descriptor: C-type lectin domain family 2 member A, Killer cell lectin-like receptor subfamily F member 2, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Li, Y.
Deposit date:2013-01-08
Release date:2013-07-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of NKp65 bound to its keratinocyte ligand reveals basis for genetically linked recognition in natural killer gene complex.
Proc.Natl.Acad.Sci.USA, 110, 2013
5GIX
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BU of 5gix by Molmil
Human serum albumin-Palmitic acid-Fe(Hn3piT)Cl2
Descriptor: 14-piperidin-1-yl-11-oxa-13$l^{3}-thia-15,16$l^{4}-diaza-12$l^{3}-ferratetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,8,13,16-heptaene, PALMITIC ACID, Serum albumin
Authors:Yang, F, Qi, J, Wang, T.
Deposit date:2016-06-25
Release date:2017-07-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Developing Anticancer Ferric Prodrugs Based on the N-Donor Residues of Human Serum Albumin Carrier IIA Subdomain
J. Med. Chem., 59, 2016
7XNA
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BU of 7xna by Molmil
Crystal structure of somatostatin receptor 2 (SSTR2) with peptide antagonist CYN 154806
Descriptor: CYN 154806, Somatostatin receptor type 2,Endo-1,4-beta-xylanase
Authors:Zhao, W, Han, S, Qiu, N, Feng, W, Lu, M, Yang, D, Wang, M.-W, Wu, B, Zhao, Q.
Deposit date:2022-04-28
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7XN9
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BU of 7xn9 by Molmil
Crystal structure of SSTR2 and L-054,522 complex
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Somatostatin receptor type 2,Endo-1,4-beta-xylanase, tert-butyl (2S)-6-azanyl-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate
Authors:Zhao, W, Han, S, Qiu, N, Feng, W, Lu, M, Yang, D, Wang, M.-W, Wu, B, Zhao, Q.
Deposit date:2022-04-28
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7X2F
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BU of 7x2f by Molmil
Cryo-EM structure of the dopamine and LY3154207-bound D1 dopamine receptor and mini-Gs complex
Descriptor: 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ...
Authors:Teng, X, Zheng, S.
Deposit date:2022-02-25
Release date:2022-06-15
Last modified:2022-06-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Ligand recognition and biased agonism of the D1 dopamine receptor.
Nat Commun, 13, 2022
7X2D
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BU of 7x2d by Molmil
Cryo-EM structure of the tavapadon-bound D1 dopamine receptor and mini-Gs complex
Descriptor: 1,5-dimethyl-6-[2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]oxy-phenyl]pyrimidine-2,4-dione, CHOLESTEROL, D(1A) dopamine receptor, ...
Authors:Teng, X, Zheng, S.
Deposit date:2022-02-25
Release date:2022-06-15
Last modified:2022-10-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Ligand recognition and biased agonism of the D1 dopamine receptor.
Nat Commun, 13, 2022
7X2C
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BU of 7x2c by Molmil
Cryo-EM structure of the fenoldopam-bound D1 dopamine receptor and mini-Gs complex
Descriptor: (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ...
Authors:Teng, X, Zheng, S.
Deposit date:2022-02-25
Release date:2022-06-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Ligand recognition and biased agonism of the D1 dopamine receptor.
Nat Commun, 13, 2022
7XPJ
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BU of 7xpj by Molmil
crystal structure of rice ASI1 BAH domain
Descriptor: BAH domain-containing protein
Authors:Yuan, J, Du, J.
Deposit date:2022-05-04
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Molecular basis of locus-specific H3K9 methylation catalyzed by SUVH6 in plants.
Proc.Natl.Acad.Sci.USA, 120, 2023
7XPK
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BU of 7xpk by Molmil
crystal structure of rice ASI1 BAH domain in complex with a rice SUVH6 peptide
Descriptor: Alpha-aminoacylpeptide hydrolase, BAH domain-containing protein
Authors:Yuan, J, Du, J.
Deposit date:2022-05-04
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular basis of locus-specific H3K9 methylation catalyzed by SUVH6 in plants.
Proc.Natl.Acad.Sci.USA, 120, 2023
5HYN
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BU of 5hyn by Molmil
Structure of Human Polycomb Repressive Complex 2 (PRC2) with oncogenic histone H3K27M peptide
Descriptor: H3K27M, Histone-lysine N-methyltransferase EZH2, JARID2 K116me3, ...
Authors:Zhang, Y, Justin, N, Wilson, J.R, Gamblin, S.J.
Deposit date:2016-02-01
Release date:2016-05-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis of oncogenic histone H3K27M inhibition of human polycomb repressive complex 2.
Nat Commun, 7, 2016
7XMK
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BU of 7xmk by Molmil
Crystal structure of human RIPK1 kinase domain in complex with compound SKLB923
Descriptor: 5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1
Authors:Zhang, L, Wang, Y, Li, Y, Yang, S.
Deposit date:2022-04-26
Release date:2023-04-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.376 Å)
Cite:From Hit to Lead: Structure-Based Optimization of Novel Selective Inhibitors of Receptor-Interacting Protein Kinase 1 (RIPK1) for the Treatment of Inflammatory Diseases.
J.Med.Chem., 67, 2024
5I7U
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BU of 5i7u by Molmil
Human DPP4 in complex with a novel tricyclic hetero-cycle inhibitor
Descriptor: 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G.
Deposit date:2016-02-18
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of Novel Tricyclic Heterocycles as Potent and Selective DPP-4 Inhibitors for the Treatment of Type 2 Diabetes.
Acs Med.Chem.Lett., 7, 2016
4MH1
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BU of 4mh1 by Molmil
Crystal structure and functional studies of quinoprotein L-sorbose dehydrogenase from Ketogulonicigenium vulgare Y25
Descriptor: CALCIUM ION, PYRROLOQUINOLINE QUINONE, Sorbose dehydrogenase
Authors:Han, X, Liu, X.
Deposit date:2013-08-29
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of L-sorbose dehydrogenase, a pyrroloquinoline quinone-dependent enzyme with homodimeric assembly, from Ketogulonicigenium vulgare
Biotechnol.Lett., 36, 2014
7VOA
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BU of 7voa by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with aRBD5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpaca nanobody
Authors:Ma, H, Zeng, W.H, Jin, T.C.
Deposit date:2021-10-13
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hetero-bivalent nanobodies provide broad-spectrum protection against SARS-CoV-2 variants of concern including Omicron.
Cell Res., 32, 2022
7WO9
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BU of 7wo9 by Molmil
Cryo-EM structure of full-length Nup188
Descriptor: Nucleoporin NUP188
Authors:Zhao, L, Li, Z.Q, Sui, S.F.
Deposit date:2022-01-20
Release date:2022-03-30
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Near-atomic structure of the inner ring of the Saccharomyces cerevisiae nuclear pore complex.
Cell Res., 32, 2022
7XMR
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BU of 7xmr by Molmil
CryoEM structure of the somatostatin receptor 2 (SSTR2) in complex with Gi1 and its endogeneous peptide ligand SST-14
Descriptor: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
Deposit date:2022-04-26
Release date:2022-08-03
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7XMT
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BU of 7xmt by Molmil
CryoEM structure of somatostatin receptor 4 (SSTR4) with Gi1 and J-2156
Descriptor: (2~{S})-2-[[(2~{S})-4-azanyl-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanoyl]amino]-3-phenyl-propanimidic acid, 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:Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
Deposit date:2022-04-26
Release date:2022-08-03
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7XMS
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BU of 7xms by Molmil
CryoEM structure of somatostatin receptor 4 (SSTR4) in complex with Gi1 and its endogeneous ligand SST-14
Descriptor: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
Deposit date:2022-04-26
Release date:2022-08-03
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7X4I
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BU of 7x4i by Molmil
Crystal structure of nanobody aSA3 in complex with dimer SARS-CoV-1 RBD
Descriptor: Spike glycoprotein, nanobody aSA3
Authors:Ma, H, Zeng, W.H, Jin, T.C.
Deposit date:2022-03-02
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:A bispecific nanobody dimer broadly neutralizes SARS-CoV-1 & 2 variants of concern and offers substantial protection against Omicron via low-dose intranasal administration.
Cell Discov, 8, 2022
5WRG
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BU of 5wrg by Molmil
SARS-CoV spike glycoprotein
Descriptor: Spike glycoprotein
Authors:Gui, M, Song, W, Xiang, Y, Wang, X.
Deposit date:2016-12-01
Release date:2017-01-11
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-electron microscopy structures of the SARS-CoV spike glycoprotein reveal a prerequisite conformational state for receptor binding.
Cell Res., 27, 2017

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数据于2024-05-29公开中

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