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5XP7
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BU of 5xp7 by Molmil
C-Src in complex with ATP-CHCl
Descriptor: GLYCEROL, MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase Src, ...
Authors:Guo, M, Dai, S, Duan, Y, Chen, L, Chen, Y.
Deposit date:2017-06-01
Release date:2017-09-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.012 Å)
Cite:Remarkably Stereospecific Utilization of ATP alpha , beta-Halomethylene Analogues by Protein Kinases.
J. Am. Chem. Soc., 139, 2017
8E2B
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BU of 8e2b by Molmil
N-terminal domain of S. aureus GpsB
Descriptor: Cell cycle protein GpsB, GLYCEROL
Authors:Sacco, M, Chen, Y.
Deposit date:2022-08-14
Release date:2023-08-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Staphylococcus aureus FtsZ and PBP4 bind to the conformationally dynamic N-terminal domain of GpsB.
Elife, 13, 2024
8E2C
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BU of 8e2c by Molmil
N-terminal domain of S. aureus GpsB in complex with PBP4 fragment
Descriptor: Cell cycle protein GpsB, PBP4
Authors:Sacco, M, Chen, Y.
Deposit date:2022-08-14
Release date:2023-08-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Staphylococcus aureus FtsZ and PBP4 bind to the conformationally dynamic N-terminal domain of GpsB.
Elife, 13, 2024
5IS0
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BU of 5is0 by Molmil
Structure of TRPV1 in complex with capsazepine, determined in lipid nanodisc
Descriptor: Transient receptor potential cation channel subfamily V member 1, capsazepine
Authors:Gao, Y, Cao, E, Julius, D, Cheng, Y.
Deposit date:2016-03-15
Release date:2016-05-25
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:TRPV1 structures in nanodiscs reveal mechanisms of ligand and lipid action.
Nature, 534, 2016
5IRX
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BU of 5irx by Molmil
Structure of TRPV1 in complex with DkTx and RTX, determined in lipid nanodisc
Descriptor: (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate, (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, (4R,7S)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium, ...
Authors:Gao, Y, Cao, E, Julius, D, Cheng, Y.
Deposit date:2016-03-14
Release date:2016-05-25
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:TRPV1 structures in nanodiscs reveal mechanisms of ligand and lipid action.
Nature, 534, 2016
5IRZ
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BU of 5irz by Molmil
Structure of TRPV1 determined in lipid nanodisc
Descriptor: (2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(pentanoyloxy)propan-2-yl decanoate, (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, (4R,7S)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium, ...
Authors:Gao, Y, Cao, E, Julius, D, Cheng, Y.
Deposit date:2016-03-15
Release date:2016-05-25
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:TRPV1 structures in nanodiscs reveal mechanisms of ligand and lipid action.
Nature, 534, 2016
4UA9
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BU of 4ua9 by Molmil
CTX-M-14 Class A Beta-Lactamase in Complex with a Boronic Acid Acylation Transition State Analog at Sub-Angstrom Resolution
Descriptor: Beta-lactamase CTX-M-14, PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
Authors:Nichols, D.A, Chen, Y.
Deposit date:2014-08-08
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.84 Å)
Cite:Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
3JRT
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BU of 3jrt by Molmil
Structure from the mobile metagenome of V. paracholerae: Integron cassette protein Vpc_cass2
Descriptor: Integron cassette protein Vpc_cass2
Authors:Harrop, S.J, Deshpande, C, Sureshan, V, Boucher, Y, Xu, X, Cui, H, Cuff, M, Edwards, A, Savchenko, A, Joachimiak, A, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-09-08
Release date:2009-09-22
Last modified:2013-02-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Integron gene cassettes: a repository of novel protein folds with distinct interaction sites.
Plos One, 8, 2013
5YRP
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BU of 5yrp by Molmil
Crystal structure of the EAL domain of Mycobacterium smegmatis DcpA
Descriptor: MAGNESIUM ION, Sensory box/response regulator
Authors:Chen, H.J, li, N, Luo, Y, Jiang, Y.L, Zhou, C.Z, Chen, Y, Li, Q.
Deposit date:2017-11-09
Release date:2018-05-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:The GDP-switched GAF domain of DcpA modulates the concerted synthesis/hydrolysis of c-di-GMP inMycobacterium smegmatis.
Biochem. J., 475, 2018
8U3A
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BU of 8u3a by Molmil
TRPV1 in nanodisc bound with PI-Br4 bound in Conformation 1 (monomer)
Descriptor: (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, SODIUM ION, ...
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-07
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 2024
8U4D
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BU of 8u4d by Molmil
TRPV1 in nanodisc bound with PI-Br4, consensus structure
Descriptor: (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-10
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 2024
8U3J
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BU of 8u3j by Molmil
TRPV1 in nanodisc bound with empty vanilloid binding pocket at 4C
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, Transient receptor potential cation channel subfamily V member 1
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-07
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 2024
8U30
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BU of 8u30 by Molmil
TRPV1 in nanodisc bound with diC8-PIP2 in the closed state
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily V member 1, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-06
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 2024
8U3C
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BU of 8u3c by Molmil
TRPV1 in nanodisc bound with PI-Br4 bound in Conformation 2 (monomer)
Descriptor: (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-07
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 2024
4UAA
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BU of 4uaa by Molmil
CTX-M-14 Class A Beta-Lactamase in Complex with a Non-Covalent Inhibitor at Sub-Angstrom Resolution
Descriptor: Beta-lactamase CTX-M-14, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide, PHOSPHATE ION
Authors:Nichols, D.A, Chen, Y.
Deposit date:2014-08-08
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.86 Å)
Cite:Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
8U2Z
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BU of 8u2z by Molmil
TRPV1 in nanodisc bound with diC8-PIP2 in the dilated state
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, SODIUM ION, ...
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-06
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 2024
8U43
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BU of 8u43 by Molmil
TRPV1 in nanodisc bound with PIP2-Br4
Descriptor: (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, SODIUM ION, ...
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-08
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 2024
8U3L
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BU of 8u3l by Molmil
TRPV1 in nanodisc bound with empty vanilloid binding pocket at 25C
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, Transient receptor potential cation channel subfamily V member 1
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-07
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 2024
4UA6
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BU of 4ua6 by Molmil
CTX-M-14 Class A Beta-Lactamase Apo Crystal Structure at 0.79 Angstrom Resolution
Descriptor: Beta-lactamase CTX-M-14, PHOSPHATE ION, POTASSIUM ION
Authors:Nichols, D.A, Chen, Y.
Deposit date:2014-08-08
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.79 Å)
Cite:Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
4UA7
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BU of 4ua7 by Molmil
CTX-M-14 Class A Beta-Lactamase in Complex with a Non-Covalent Inhibitor at Sub-Angstrom Resolution
Descriptor: Beta-lactamase CTX-M-14, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide, PHOSPHATE ION
Authors:Nichols, D.A, Chen, Y.
Deposit date:2014-08-08
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
4GMB
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BU of 4gmb by Molmil
Crystal structure of human WD repeat domain 5 with compound MM-402
Descriptor: MM-402, WD repeat-containing protein 5
Authors:Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S.
Deposit date:2012-08-15
Release date:2014-02-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.781 Å)
Cite:Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J.Med.Chem., 60, 2017
6JBH
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BU of 6jbh by Molmil
Cryo-EM structure and transport mechanism of a wall teichoic acid ABC transporter
Descriptor: TarG, TarH
Authors:Chen, L, Hou, W.T, Fan, T, Li, Y.H, Liu, B.H, Jiang, Y.L, Sun, L.F, Chen, Y, Zhou, C.Z.
Deposit date:2019-01-25
Release date:2020-03-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Cryo-electron Microscopy Structure and Transport Mechanism of a Wall Teichoic Acid ABC Transporter.
Mbio, 11, 2020
1P2A
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BU of 1p2a by Molmil
The structure of cyclin dependent kinase 2 (CKD2) with a trisubstituted naphthostyril inhibitor
Descriptor: 5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE, Cell division protein kinase 2
Authors:Liu, J.-J, Dermatakis, A, Lukacs, C.M, Konzelmann, F, Chen, Y, Kammlott, U, Depinto, W, Yang, H, Yin, X, Chen, Y, Schutt, A, Simcox, M.E, Luk, K.-C.
Deposit date:2003-04-15
Release date:2003-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:3,5,6-Trisubstituted Naphthostyrils as CDK2 Inhibitors
BIOORG.MED.CHEM., 13, 2003
1YUD
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BU of 1yud by Molmil
X-ray Crystal Structure of Protein SO0799 from Shewanella oneidensis. Northeast Structural Genomics Consortium Target SoR12.
Descriptor: hypothetical protein SO0799
Authors:Kuzin, A.P, Vorobiev, S, Chen, Y, Forouhar, F, Acton, T, Ma, L.-C, Xiao, R, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-02-14
Release date:2005-03-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of hypothetical protein SO0799 from Shewanella oneidensis
To be Published
6UJA
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BU of 6uja by Molmil
Integrin alpha-v beta-8 in complex with pro-TGF-beta1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Campbell, M.G, Cormier, A, Cheng, Y, Nishimura, S.L.
Deposit date:2019-10-02
Release date:2020-02-05
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM Reveals Integrin-Mediated TGF-beta Activation without Release from Latent TGF-beta.
Cell, 180, 2020

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