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225L
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BU of 225l by Molmil
GENERATING LIGAND BINDING SITES IN T4 LYSOZYME USING DEFICIENCY-CREATING SUBSTITUTIONS
Descriptor: BETA-MERCAPTOETHANOL, PARA-XYLENE, T4 LYSOZYME
Authors:Baldwin, E.P, Baase, W.A, Zhang, X.-J, Feher, V, Matthews, B.W.
Deposit date:1997-06-25
Release date:1998-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Generation of ligand binding sites in T4 lysozyme by deficiency-creating substitutions.
J.Mol.Biol., 277, 1998
7F29
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BU of 7f29 by Molmil
Cryo-EM structure of the fibril formed by disaccharide-modified amyloid-beta(1-42)
Descriptor: ACETIC ACID, Amyloid-beta A4 protein, beta-D-galactopyranose-(1-3)-2-amino-2-deoxy-alpha-D-galactopyranose
Authors:Xia, W.C, Sun, Y.P, Liu, C.
Deposit date:2021-06-10
Release date:2022-07-13
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:O-Glycosylation Induces Amyloid-beta To Form New Fibril Polymorphs Vulnerable for Degradation
J.Am.Chem.Soc., 143, 2021
7FH0
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BU of 7fh0 by Molmil
Crystallographic structure of two neutralizing nanobodies in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Zheng, P, Jin, J.
Deposit date:2021-07-28
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Hetero-bivalent nanobodies provide broad-spectrum protection against SARS-CoV-2 variants of concern including Omicron.
Cell Res., 32, 2022
223L
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BU of 223l by Molmil
GENERATING LIGAND BINDING SITES IN T4 LYSOZYME USING DEFICIENCY-CREATING SUBSTITUTIONS
Descriptor: BENZENE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Baldwin, E.P, Baase, W.A, Zhang, X.-J, Feher, V, Matthews, B.W.
Deposit date:1997-06-25
Release date:1998-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Generation of ligand binding sites in T4 lysozyme by deficiency-creating substitutions.
J.Mol.Biol., 277, 1998
4Q77
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BU of 4q77 by Molmil
Crystal structure of Rot, a global regulator of virulence genes in Staphylococcus aureus
Descriptor: GLYCEROL, HTH-type transcriptional regulator rot
Authors:Zhu, Y, Fan, X, Li, X, Teng, M.
Deposit date:2014-04-24
Release date:2014-09-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure of Rot, a global regulator of virulence genes in Staphylococcus aureus.
Acta Crystallogr.,Sect.D, 70, 2014
7MOA
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BU of 7moa by Molmil
Cryo-EM structure of the c-MET II/HGF I complex bound with HGF II in a rigid conformation
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Hepatocyte growth factor, Hepatocyte growth factor receptor
Authors:Uchikawa, E, Chen, Z.M, Xiao, G.Y, Zhang, X.W, Bai, X.C.
Deposit date:2021-05-01
Release date:2021-06-09
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Structural basis of the activation of c-MET receptor.
Nat Commun, 12, 2021
7MO7
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BU of 7mo7 by Molmil
Cryo-EM structure of 2:2 c-MET/HGF holo-complex
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Hepatocyte growth factor, Hepatocyte growth factor receptor
Authors:Uchikawa, E, Chen, Z.M, Xiao, G.Y, Zhang, X.W, Bai, X.C.
Deposit date:2021-05-01
Release date:2021-06-09
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structural basis of the activation of c-MET receptor.
Nat Commun, 12, 2021
7MO9
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BU of 7mo9 by Molmil
Cryo-EM map of the c-MET II/HGF I/HGF II (K4 and SPH) sub-complex
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Hepatocyte growth factor, Hepatocyte growth factor receptor
Authors:Uchikawa, E, Chen, Z.M, Xiao, G.Y, Zhang, X.W, Bai, X.C.
Deposit date:2021-05-01
Release date:2021-06-09
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis of the activation of c-MET receptor.
Nat Commun, 12, 2021
7MOB
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BU of 7mob by Molmil
Cryo-EM structure of 2:2 c-MET/NK1 complex
Descriptor: Hepatocyte growth factor, Hepatocyte growth factor receptor
Authors:Uchikawa, E, Chen, Z.M, Xiao, G.Y, Zhang, X.W, Bai, X.C.
Deposit date:2021-05-01
Release date:2021-06-09
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Structural basis of the activation of c-MET receptor.
Nat Commun, 12, 2021
7MO8
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BU of 7mo8 by Molmil
Cryo-EM structure of 1:1 c-MET I/HGF I complex after focused 3D refinement of holo-complex
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Hepatocyte growth factor, Hepatocyte growth factor receptor
Authors:Uchikawa, E, Chen, Z.M, Xiao, G.Y, Zhang, X.W, Bai, X.C.
Deposit date:2021-05-01
Release date:2021-06-09
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural basis of the activation of c-MET receptor.
Nat Commun, 12, 2021
4L2Y
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BU of 4l2y by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha and compound 9d
Descriptor: 3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
Deposit date:2013-06-05
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
228L
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BU of 228l by Molmil
GENERATING LIGAND BINDING SITES IN T4 LYSOZYME USING DEFICIENCY-CREATING SUBSTITUTIONS
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME
Authors:Baldwin, E.P, Baase, W.A, Zhang, X.-J, Feher, V, Matthews, B.W.
Deposit date:1997-06-25
Release date:1998-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Generation of ligand binding sites in T4 lysozyme by deficiency-creating substitutions.
J.Mol.Biol., 277, 1998
3K1Q
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BU of 3k1q by Molmil
Backbone model of an aquareovirus virion by cryo-electron microscopy and bioinformatics
Descriptor: Core protein VP6, Outer capsid VP5, Outer capsid VP7, ...
Authors:Cheng, L.P, Zhu, J, Hiu, W.H, Zhang, X.K, Honig, B, Fang, Q, Zhou, Z.H.
Deposit date:2009-09-28
Release date:2010-03-23
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Backbone Model of an Aquareovirus Virion by Cryo-Electron Microscopy and Bioinformatics
J.Mol.Biol., 397, 2010
4L1B
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BU of 4l1b by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION
Authors:Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
Deposit date:2013-06-03
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.586 Å)
Cite:Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
226L
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BU of 226l by Molmil
GENERATING LIGAND BINDING SITES IN T4 LYSOZYME USING DEFICIENCY-CREATING SUBSTITUTIONS
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME
Authors:Baldwin, E.P, Baase, W.A, Zhang, X.-J, Feher, V, Matthews, B.W.
Deposit date:1997-06-25
Release date:1998-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Generation of ligand binding sites in T4 lysozyme by deficiency-creating substitutions.
J.Mol.Biol., 277, 1998
8KIH
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BU of 8kih by Molmil
PhmA, a type I diterpene synthase without NST/DTE motif
Descriptor: (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate, MAGNESIUM ION, diterpene synthase, ...
Authors:Zhang, B, Ge, H.M, Zhu, A, Zhang, Y.
Deposit date:2023-08-23
Release date:2023-10-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biosynthesis of Phomactin Platelet Activating Factor Antagonist Requires a Two-Enzyme Cascade.
Angew.Chem.Int.Ed.Engl., 62, 2023
8KI5
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BU of 8ki5 by Molmil
PhmA, a type I diterpene synthase without NST/DTE motif
Descriptor: (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, PhmA
Authors:Zhang, B, Ge, H.M, Zhu, A, Zhang, Y.
Deposit date:2023-08-22
Release date:2023-10-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Biosynthesis of Phomactin Platelet Activating Factor Antagonist Requires a Two-Enzyme Cascade.
Angew.Chem.Int.Ed.Engl., 62, 2023
252L
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BU of 252l by Molmil
GENERATING LIGAND BINDING SITES IN T4 LYSOZYME USING DEFICIENCY-CREATING SUBSTITUTIONS
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, T4 LYSOZYME
Authors:Baldwin, E.P, Baase, W.A, Zhang, X.-J, Feher, V, Matthews, B.W.
Deposit date:1997-10-28
Release date:1998-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Generation of ligand binding sites in T4 lysozyme by deficiency-creating substitutions.
J.Mol.Biol., 277, 1998
8K5N
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BU of 8k5n by Molmil
Discovery of Novel PD-L1 Inhibitors That Induce Dimerization and Degradation of PD-L1 Based on Fragment Coupling Strategy
Descriptor: 3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide, Programmed cell death 1 ligand 1
Authors:Cheng, Y, Xiao, Y.B.
Deposit date:2023-07-22
Release date:2024-01-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Novel PD-L1 Inhibitors That Induce the Dimerization, Internalization, and Degradation of PD-L1 Based on the Fragment Coupling Strategy.
J.Med.Chem., 66, 2023
5X5Y
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BU of 5x5y by Molmil
A membrane protein complex
Descriptor: Probable ATP-binding component of ABC transporter, Uncharacterized protein
Authors:Luo, Q, Yang, X, Huang, Y.
Deposit date:2017-02-18
Release date:2017-04-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.465 Å)
Cite:Structural basis for lipopolysaccharide extraction by ABC transporter LptB2FG
Nat. Struct. Mol. Biol., 24, 2017
5YF2
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BU of 5yf2 by Molmil
Crystal structure of CARNMT1 bound to anserine and SAH
Descriptor: (2~{S})-2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid, CALCIUM ION, Carnosine N-methyltransferase, ...
Authors:Cao, R, Li, H.
Deposit date:2017-09-20
Release date:2018-08-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Molecular basis for histidine N1 position-specific methylation by CARNMT1.
Cell Res., 28, 2018
6LRM
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BU of 6lrm by Molmil
Crystal structure of PDE4D catalytic domain in complex with arctigenin
Descriptor: 1,2-ETHANEDIOL, Arctigenin, MAGNESIUM ION, ...
Authors:Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2020-01-16
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Identification of phosphodiesterase-4 as the therapeutic target of arctigenin in alleviating psoriatic skin inflammation.
J Adv Res, 33, 2021
3T7Z
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BU of 3t7z by Molmil
Structure of Methanocaldococcus jannaschii Nop N-terminal domain
Descriptor: ACETATE ION, GLYCEROL, Nucleolar protein Nop 56/58, ...
Authors:Biswas, S, Maxwell, S.
Deposit date:2011-07-31
Release date:2012-04-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structurally Conserved Nop56/58 N-terminal Domain Facilitates Archaeal Box C/D Ribonucleoprotein-guided Methyltransferase Activity.
J.Biol.Chem., 287, 2012
7DQA
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BU of 7dqa by Molmil
Cryo-EM structure of SARS-CoV2 RBD-ACE2 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ...
Authors:Wang, J, Lan, J, Wang, X.Q, Wang, H.W.
Deposit date:2020-12-22
Release date:2021-12-29
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Reduced graphene oxide membrane as supporting film for high-resolution cryo-EM
Biophys Rep, 7, 2022
5VNP
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BU of 5vnp by Molmil
X-ray crystal structure of Halotag bound to the P1 benzoxadiazole fluorogenic ligand
Descriptor: CHLORIDE ION, Haloalkane dehalogenase, N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide
Authors:Dunham, N.P, Boal, A.K.
Deposit date:2017-05-01
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:AgHalo: A Facile Fluorogenic Sensor to Detect Drug-Induced Proteome Stress.
Angew. Chem. Int. Ed. Engl., 56, 2017

226262

PDB entries from 2024-10-16

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