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3DDA
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BU of 3dda by Molmil
Crystal structure of the catalytic domain of Botulinum neurotoxin serotype a with a snap-25 peptide
Descriptor: Botulinum neurotoxin A light chain, SULFATE ION, Synaptosomal-associated protein 25, ...
Authors:Kumaran, D, Swaminathan, S.
Deposit date:2008-06-05
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Substrate binding mode and its implication on drug design for botulinum neurotoxin A
Plos Pathog., 4, 2008
3DF7
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BU of 3df7 by Molmil
Crystal structure of a putative ATP-grasp superfamily protein from Archaeoglobus fulgidus
Descriptor: ACETATE ION, Putative ATP-grasp superfamily protein
Authors:Sugadev, R, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-06-11
Release date:2008-08-05
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of a putative ATP-grasp superfamily protein from Archaeoglobus fulgidus
To be Published
3DDB
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BU of 3ddb by Molmil
Crystal structure of the catalytic domain of Botulinum neurotoxin serotype a with a substrate analog peptide
Descriptor: Botulinum neurotoxin A light chain, SULFATE ION, Synaptosomal-associated protein 25, ...
Authors:Kumaran, D, Swaminathan, S.
Deposit date:2008-06-05
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Substrate binding mode and its implication on drug design for botulinum neurotoxin A
Plos Pathog., 4, 2008
4V4I
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BU of 4v4i by Molmil
Crystal Structure of a 70S Ribosome-tRNA Complex Reveals Functional Interactions and Rearrangements.
Descriptor: 16S SMALL SUBUNIT RIBOSOMAL RNA, 23S LARGE SUBUNIT RIBOSOMAL RNA, 30S ribosomal protein S10, ...
Authors:Korostelev, A, Trakhanov, S, Laurberg, M, Noller, H.F.
Deposit date:2007-02-15
Release date:2014-07-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.71 Å)
Cite:Crystal Structure of a 70S Ribosome-tRNA Complex Reveals Functional Interactions and Rearrangements
Cell(Cambridge,Mass.), 126, 2006
6WWZ
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BU of 6wwz by Molmil
Cryo-EM structure of the human chemokine receptor CCR6 in complex with CCL20 and a Go protein
Descriptor: C-C chemokine receptor type 6,C-C chemokine receptor type 6, C-C motif chemokine 20, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wasilko, D.J, Johnson, Z.L, Ammirati, M, Han, S, Wu, H.
Deposit date:2020-05-09
Release date:2020-06-24
Last modified:2020-07-01
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structural basis for chemokine receptor CCR6 activation by the endogenous protein ligand CCL20.
Nat Commun, 11, 2020
5ZBH
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BU of 5zbh by Molmil
The Crystal Structure of Human Neuropeptide Y Y1 Receptor with BMS-193885
Descriptor: Neuropeptide Y receptor type 1,T4 Lysozyme,Neuropeptide Y receptor type 1, dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Authors:Yang, Z, Han, S, Zhao, Q, Wu, B.
Deposit date:2018-02-11
Release date:2018-04-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of ligand binding modes at the neuropeptide Y Y1receptor
Nature, 556, 2018
5ZBQ
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BU of 5zbq by Molmil
The Crystal Structure of human neuropeptide Y Y1 receptor with UR-MK299
Descriptor: Neuropeptide Y receptor type 1,T4 Lysozyme, N~2~-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-N~5~-(N'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-D-ornithinamide
Authors:Yang, Z, Han, S, Zhao, Q, Wu, B.
Deposit date:2018-02-12
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of ligand binding modes at the neuropeptide Y Y1receptor
Nature, 556, 2018
6B5V
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BU of 6b5v by Molmil
Structure of TRPV5 in complex with econazole
Descriptor: 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, CALCIUM ION, Transient receptor potential cation channel subfamily V member 5
Authors:Hughes, T.E.T, Lodowski, D.T, Huynh, K.W, Yazici, A, del Rosario, J, Kapoor, A, Basak, S, Samanta, A, Chakrapani, S, Zhou, Z.H, Filizola, M, Rohacs, T, Han, S, Moiseenkova-Bell, V.Y.
Deposit date:2017-09-29
Release date:2017-12-27
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structural basis of TRPV5 channel inhibition by econazole revealed by cryo-EM.
Nat. Struct. Mol. Biol., 25, 2018
8E4Y
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BU of 8e4y by Molmil
Cryo-EM structure of human glycerol-3-phosphate acyltransferase 1 (GPAT1) in complex with 2-oxohexadecyl-CoA
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, Glycerol-3-phosphate acyltransferase 1, mitochondrial, ...
Authors:Johnson, Z.L, Wasilko, D.J, Ammirati, M, Chang, J.S, Han, S, Wu, H.
Deposit date:2022-08-19
Release date:2022-12-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of the acyl-transfer mechanism of human GPAT1.
Nat.Struct.Mol.Biol., 30, 2023
8E50
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BU of 8e50 by Molmil
Cryo-EM structure of human glycerol-3-phosphate acyltransferase 1 (GPAT1) in complex with CoA and palmitoyl-LPA
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, COENZYME A, Glycerol-3-phosphate acyltransferase 1, ...
Authors:Wasilko, D.J, Johnson, Z.L, Ammirati, M, Chang, J.S, Han, S, Wu, H.
Deposit date:2022-08-19
Release date:2022-12-21
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structural basis of the acyl-transfer mechanism of human GPAT1.
Nat.Struct.Mol.Biol., 30, 2023
7DDZ
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BU of 7ddz by Molmil
The Crystal Structure of Human Neuropeptide Y Y2 Receptor with JNJ-31020028
Descriptor: FLAVIN MONONUCLEOTIDE, Human Neuropeptide Y Y2 Receptor fusion protein, ~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide
Authors:Tang, T, Han, S, Zhao, Q, Wu, B.
Deposit date:2020-10-30
Release date:2021-01-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for ligand recognition of the neuropeptide Y Y 2 receptor.
Nat Commun, 12, 2021
7UJA
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BU of 7uja by Molmil
Cryo-EM structure of Human respiratory syncytial virus F variant (construct pXCS847A)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM14 Fab heavy chain, AM14 Fab light chain, ...
Authors:Lees, J.A, Ammirati, M, Han, S.
Deposit date:2022-03-30
Release date:2023-04-19
Last modified:2023-05-10
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Rational design of a highly immunogenic prefusion-stabilized F glycoprotein antigen for a respiratory syncytial virus vaccine.
Sci Transl Med, 15, 2023
3TUD
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BU of 3tud by Molmil
Crystal structure of SYK kinase domain with N-(4-methyl-3-(8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)phenyl)-3-(trifluoromethyl)benzamide
Descriptor: N-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide, Tyrosine-protein kinase SYK
Authors:Lovering, F, McDonald, J, Whitlock, G, Glossop, P, Phillips, C, Sabnis, Y, Ryan, M, Fitz, L, Lee, J, Chang, J.S, Han, S, Kurumbail, R, Thorarenson, A.
Deposit date:2011-09-16
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
3TUC
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BU of 3tuc by Molmil
Crystal structure of SYK kinase domain with 1-benzyl-N-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Descriptor: 1-benzyl-N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide, Tyrosine-protein kinase SYK
Authors:Lovering, F, McDonald, J, Whitlock, G, Glossop, P, Phillips, C, Sabnis, Y, Ryan, M, Fitz, L, Lee, J, Chang, J.S, Han, S, Kurumbail, R, Thorarenson, A.
Deposit date:2011-09-16
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
5ZET
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BU of 5zet by Molmil
M. smegmatis P/P state 50S ribosomal subunit
Descriptor: 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ...
Authors:Mishra, S, Ahmed, T, Tyagi, A, Shi, J, Bhushan, S.
Deposit date:2018-02-28
Release date:2018-09-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures of Mycobacterium smegmatis 70S ribosomes in complex with HPF, tmRNA, and P-tRNA.
Sci Rep, 8, 2018
5ZEP
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BU of 5zep by Molmil
M. smegmatis hibernating state 70S ribosome structure
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Mishra, S, Ahmed, T, Tyagi, A, Shi, J, Bhushan, S.
Deposit date:2018-02-27
Release date:2018-09-26
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of Mycobacterium smegmatis 70S ribosomes in complex with HPF, tmRNA, and P-tRNA.
Sci Rep, 8, 2018
7SN3
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BU of 7sn3 by Molmil
Structure of human SARS-CoV-2 spike glycoprotein trimer bound by neutralizing antibody C1C-A3 Fab (variable region)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pan, J, Abraham, J, Shankar, S.
Deposit date:2021-10-27
Release date:2021-12-08
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
7SN2
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BU of 7sn2 by Molmil
Structure of human SARS-CoV-2 neutralizing antibody C1C-A3 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pan, J, Abraham, J, Yang, P, Shankar, S.
Deposit date:2021-10-27
Release date:2021-12-08
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
6AE8
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BU of 6ae8 by Molmil
Structure insight into histone chaperone Chz1-mediated H2A.Z recognition and replacement
Descriptor: BICINE, Histone H2A.Z-specific chaperone CHZ1, Histone H2B.1,Histone H2A.Z
Authors:Wang, Y.Y, Shan, S, Zhou, Z.
Deposit date:2018-08-03
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into histone chaperone Chz1-mediated H2A.Z recognition and histone replacement.
Plos Biol., 17, 2019
6USF
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BU of 6usf by Molmil
CryoEM structure of human alpha4beta2 nicotinic acetylcholine receptor with varenicline in complex with anti-BRIL synthetic antibody BAK5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, ...
Authors:Alvarez, F.J.D, Mukherjee, S, Han, S, Ammirati, M, Kossiakoff, A.A.
Deposit date:2019-10-26
Release date:2020-04-29
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins.
Nat Commun, 11, 2020
6UR8
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BU of 6ur8 by Molmil
CryoEM structure of human alpha4beta2 nicotinic acetylcholine receptor in complex with varenicline
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Chimera of soluble cytochrome b562 (BRIL) and neuronal acetylcholine receptor subunit alpha-4, Neuronal acetylcholine receptor subunit beta-2, ...
Authors:Alvarez, F.J.D, Mukherjee, S, Han, S, Ammirati, M, Kossiakoff, A.A.
Deposit date:2019-10-22
Release date:2020-04-29
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins.
Nat Commun, 11, 2020
4ZQS
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BU of 4zqs by Molmil
New compact conformation of linear Ub2 structure
Descriptor: ubiquitin
Authors:Thach, T.T, Shin, D, Han, S, Lee, S.
Deposit date:2015-05-11
Release date:2016-04-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:New conformations of linear polyubiquitin chains from crystallographic and solution-scattering studies expand the conformational space of polyubiquitin.
Acta Crystallogr D Struct Biol, 72, 2016
7F1R
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BU of 7f1r by Molmil
Cryo-EM structure of the chemokine receptor CCR5 in complex with RANTES and Gi
Descriptor: C-C motif chemokine 5,C-C chemokine receptor type 5, 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:Zhang, H, Chen, K, Tan, Q, Han, S, Zhu, Y, Zhao, Q, Wu, B.
Deposit date:2021-06-09
Release date:2021-07-14
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for chemokine recognition and receptor activation of chemokine receptor CCR5.
Nat Commun, 12, 2021
7F1S
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BU of 7f1s by Molmil
Cryo-EM structure of the apo chemokine receptor CCR5 in complex with Gi
Descriptor: C-C chemokine receptor type 5, 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:Zhang, H, Chen, K, Tan, Q, Han, S, Zhu, Y, Zhao, Q, Wu, B.
Deposit date:2021-06-09
Release date:2021-07-14
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for chemokine recognition and receptor activation of chemokine receptor CCR5.
Nat Commun, 12, 2021
7F1T
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BU of 7f1t by Molmil
Crystal structure of the human chemokine receptor CCR5 in complex with MIP-1a
Descriptor: C-C motif chemokine 3,C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, ZINC ION
Authors:Zhang, H, Chen, K, Tan, Q, Han, S, Zhu, Y, Zhao, Q, Wu, B.
Deposit date:2021-06-09
Release date:2021-07-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for chemokine recognition and receptor activation of chemokine receptor CCR5.
Nat Commun, 12, 2021

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