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3T9N
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BU of 3t9n by Molmil
Crystal structure of a membrane protein
Descriptor: DODECYL-BETA-D-MALTOSIDE, Small-conductance mechanosensitive channel
Authors:Yang, M, Zhang, X, Ge, J, Wang, J.
Deposit date:2011-08-03
Release date:2012-10-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.456 Å)
Cite:Structure and molecular mechanism of an anion-selective mechanosensitive channel of small conductance
Proc.Natl.Acad.Sci.USA, 109, 2012
4Y7K
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BU of 4y7k by Molmil
Structure of an archaeal mechanosensitive channel in closed state
Descriptor: Large conductance mechanosensitive channel protein,Riboflavin synthase
Authors:Li, J, Liu, Z.
Deposit date:2015-02-15
Release date:2015-08-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Mechanical coupling of the multiple structural elements of the large-conductance mechanosensitive channel during expansion
Proc.Natl.Acad.Sci.USA, 112, 2015
8K0D
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BU of 8k0d by Molmil
Cryo-EM structure of conformation 2 of complex of Nipah virus attachment G with 1E5 neutralizing antibody
Descriptor: Glycoprotein G, The heavy chain of 1E5, The light chain of 1E5
Authors:Sun, M.
Deposit date:2023-07-08
Release date:2024-05-01
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:A potent Henipavirus cross-neutralizing antibody reveals a dynamic fusion-triggering pattern of the G-tetramer.
Nat Commun, 15, 2024
8K0C
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BU of 8k0c by Molmil
Cryo-EM structure of conformation 1 of complex of Nipah virus attachment glycoprotein G with 1E5 neutralizing antibody
Descriptor: Glycoprotein G, Heavy chain of 1E5 Fab fragments, Light chain of 1E5 Fab fragments
Authors:Sun, M.M.
Deposit date:2023-07-08
Release date:2024-05-01
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:A potent Henipavirus cross-neutralizing antibody reveals a dynamic fusion-triggering pattern of the G-tetramer.
Nat Commun, 15, 2024
5GXI
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BU of 5gxi by Molmil
Structure of the Gemin5 WD40 domain in complex with AAUUUUUGAG
Descriptor: Gem-associated protein 5, RNA (5'-R(*A*AP*UP*UP*UP*UP*UP*GP*AP*G)-3'), UNKNOWN ATOM OR ION
Authors:Xu, C, He, H, Li, Y, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2016-09-18
Release date:2016-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly
Genes Dev., 30, 2016
6M0K
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BU of 6m0k by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor 11b
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
Authors:Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H.
Deposit date:2020-02-22
Release date:2020-04-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.504 Å)
Cite:Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
5CD5
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BU of 5cd5 by Molmil
Crystal structure of an immature VRC01-class antibody DRVIA7 from a Chinese donor bound to clade A/E HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 93TH057 HIV-1 gp120 core, ...
Authors:Kong, L, Wilson, I.A.
Deposit date:2015-07-03
Release date:2016-04-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.396 Å)
Cite:Key gp120 Glycans Pose Roadblocks to the Rapid Development of VRC01-Class Antibodies in an HIV-1-Infected Chinese Donor.
Immunity, 44, 2016
6VTW
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BU of 6vtw by Molmil
De novo protein design enables the precise induction of RSV-neutralizing antibodies
Descriptor: 101F Fab Heavy Chain, 101F Fab Light Chain, S4_2.45
Authors:Jardetzky, T, Correia, B.
Deposit date:2020-02-13
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020
7FAJ
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BU of 7faj by Molmil
CARM1 bound with compound 43
Descriptor: Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine
Authors:Cao, D.Y, Li, J, Xiong, B.
Deposit date:2021-07-06
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2450726 Å)
Cite:Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy.
J.Med.Chem., 64, 2021
7FAI
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BU of 7fai by Molmil
CARM1 bound with compound 9
Descriptor: Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine
Authors:Cao, D.Y, Li, J, Xiong, B.
Deposit date:2021-07-06
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09749269 Å)
Cite:Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy.
J.Med.Chem., 64, 2021
5I86
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BU of 5i86 by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174
Descriptor: (4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ...
Authors:Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
Deposit date:2016-02-18
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
8INZ
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BU of 8inz by Molmil
Cryo-EM structure of human HCN3 channel in apo state
Descriptor: 4-[[(2~{S},4~{a}~{R},6~{S},8~{a}~{S})-6-[(4~{S},5~{R})-4-[(2~{S})-butan-2-yl]-5,9-dimethyl-decyl]-4~{a}-methyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-2-yl]oxy]-4-oxidanylidene-butanoic acid, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3
Authors:Yu, B, Lu, Q.Y, Li, J, Zhang, J.
Deposit date:2023-03-10
Release date:2024-04-10
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Cryo-EM structure of human HCN3 channel and its regulation by cAMP.
J.Biol.Chem., 300, 2024
6WJL
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BU of 6wjl by Molmil
Crystal structure of Glypican-2 core protein in complex with D3 Fab
Descriptor: D3 Fab Heavy chain, D3 Fab Light Chain, Glypican-2, ...
Authors:Raman, S, Maris, J.M, Bosse, K.R, Julien, J.P.
Deposit date:2020-04-14
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A GPC2 antibody-drug conjugate is efficacious against neuroblastoma and small-cell lung cancer via binding a conformational epitope.
Cell Rep Med, 2, 2021
6XWI
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BU of 6xwi by Molmil
Solution NMR structure of the S0_2.126 designed protein
Descriptor: S0_2.126
Authors:Abriata, L.A.
Deposit date:2020-01-23
Release date:2020-04-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020
1HBT
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BU of 1hbt by Molmil
Human alpha-thrombin complexed with a peptidyl pyridinium methyl ketone containing bivalent inhibitor
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), P596 Inhibitor peptide
Authors:Rehse, P.H, Cygler, M.
Deposit date:1995-04-06
Release date:1995-07-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a peptidyl pyridinium methyl ketone inhibitor with thrombin.
Biochemistry, 34, 1995
6XXV
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BU of 6xxv by Molmil
Crystal Structure of a computationally designed Immunogen S2_1.2 in complex with its elicited antibody C57
Descriptor: Antibody C57, Heavy Chain, Light Chain, ...
Authors:Yang, C, Sesterhenn, F, Correia, B.E, Pojer, F.
Deposit date:2020-01-28
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.20116425 Å)
Cite:De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020
1NS3
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BU of 1ns3 by Molmil
STRUCTURE OF HCV PROTEASE (BK STRAIN)
Descriptor: NS3 PROTEASE, NS4A PEPTIDE, ZINC ION
Authors:Yan, Y, Munshi, S, Chen, Z.
Deposit date:1997-04-05
Release date:1998-04-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Complex of NS3 protease and NS4A peptide of BK strain hepatitis C virus: a 2.2 A resolution structure in a hexagonal crystal form.
Protein Sci., 7, 1998
6BPH
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BU of 6bph by Molmil
Crystal structure of the chromodomain of RBBP1
Descriptor: AT-rich interactive domain-containing protein 4A, UNKNOWN ATOM OR ION
Authors:Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-11-23
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of chromo barrel domain of RBBP1.
Biochem. Biophys. Res. Commun., 496, 2018
4TTH
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BU of 4tth by Molmil
Crystal structure of a CDK6/Vcyclin complex with inhibitor bound
Descriptor: 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6
Authors:Piper, D.E, Walker, N, Wang, Z.
Deposit date:2014-06-20
Release date:2014-08-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.
J.Med.Chem., 57, 2014
5I8G
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BU of 5i8g by Molmil
CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one)
Descriptor: (4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Murray, J.M.
Deposit date:2016-02-18
Release date:2016-04-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
5T1I
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BU of 5t1i by Molmil
CBX3 chromo shadow domain in complex with histone H3 peptide
Descriptor: Chromobox protein homolog 3, Histone H3.1, UNKNOWN ATOM OR ION
Authors:Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2016-08-19
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Peptide recognition by heterochromatin protein 1 (HP1) chromoshadow domains revisited: Plasticity in the pseudosymmetric histone binding site of human HP1.
J. Biol. Chem., 292, 2017
6J60
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BU of 6j60 by Molmil
hnRNP A1 reversible amyloid core GFGGNDNFG (residues 209-217)
Descriptor: 9-mer peptide (GFGGNDNFG) from Heterogeneous nuclear ribonucleoprotein A1
Authors:Luo, F, Zhou, H, Gui, X, Li, D, Li, X, Liu, C.
Deposit date:2019-01-12
Release date:2019-04-03
Last modified:2024-03-27
Method:ELECTRON CRYSTALLOGRAPHY (0.96 Å)
Cite:Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly.
Nat Commun, 10, 2019
7E7Y
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BU of 7e7y by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-623 Fab
Descriptor: BD-623 Fab H, BD-623 Fab L, Spike protein S1
Authors:Wei, Y, Xiao, J.
Deposit date:2021-02-28
Release date:2021-06-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E7X
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BU of 7e7x by Molmil
SARS-CoV-2 Spike Protein N terminal domain in Complex with N11 Fab
Descriptor: N11 Fab Light chain, N11 Fab heavy chain, Spike protein S1
Authors:Zhang, Z, Shuo, D, Xiao, J.
Deposit date:2021-02-28
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E88
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BU of 7e88 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-515 Fab
Descriptor: BD-515 Fab Heavy Chain, BD-515 Fab Light Chain, Spike protein S1
Authors:Gao, C, Wei, Y, Xiao, J.
Deposit date:2021-03-01
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021

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