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4NWL
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BU of 4nwl by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide
Descriptor: HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION
Authors:Muckelbauer, J.K, Klei, H.E.
Deposit date:2013-12-06
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
3FP9
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BU of 3fp9 by Molmil
Crystal structure of Intern Domain of proteasome-associated ATPase, Mycobacterium tuberculosis
Descriptor: Proteasome-associated ATPase
Authors:Li, H, Wang, T.
Deposit date:2009-01-04
Release date:2009-10-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights on the Mycobacterium tuberculosis Proteasomal ATPase Mpa.
Structure, 17, 2009
6LNI
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BU of 6lni by Molmil
Cryo-EM structure of amyloid fibril formed by full-length human prion protein
Descriptor: Major prion protein
Authors:Wang, L.Q, Zhao, K, Yuan, H.Y, Wang, Q, Guan, Z.Y, Tao, J, Li, X.N, Hao, M.M, Chen, J, Zhang, D.L, Zhu, H.L, Yin, P, Liu, C, Liang, Y.
Deposit date:2019-12-30
Release date:2020-06-10
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.702 Å)
Cite:Cryo-EM structure of an amyloid fibril formed by full-length human prion protein.
Nat.Struct.Mol.Biol., 27, 2020
4ZS6
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BU of 4zs6 by Molmil
Receptor binding domain and Fab complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S protein, fab Heavy Chain, ...
Authors:Yu, X, Wang, X.
Deposit date:2015-05-13
Release date:2015-09-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.166 Å)
Cite:Structural basis for the neutralization of MERS-CoV by a human monoclonal antibody MERS-27
Sci Rep, 5, 2015
5F59
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BU of 5f59 by Molmil
The crystal structure of MLL3 SET domain
Descriptor: Histone-lysine N-methyltransferase 2C, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Li, Y, Lei, M, Chen, Y.
Deposit date:2015-12-04
Release date:2016-02-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
5F5E
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BU of 5f5e by Molmil
The Crystal Structure of MLL1 SET domain with N3816I/Q3867L mutation
Descriptor: Histone-lysine N-methyltransferase 2A, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Li, Y, Lei, M, Chen, Y.
Deposit date:2015-12-04
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
5F6L
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BU of 5f6l by Molmil
The crystal structure of MLL1 (N3861I/Q3867L) in complex with RbBP5 and Ash2L
Descriptor: Histone-lysine N-methyltransferase 2A, Retinoblastoma-binding protein 5, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Li, Y, Lei, M, Chen, Y.
Deposit date:2015-12-06
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
5F6K
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BU of 5f6k by Molmil
Crystal structure of the MLL3-Ash2L-RbBP5 complex
Descriptor: Histone-lysine N-methyltransferase 2C, Retinoblastoma-binding protein 5, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Li, Y, Lei, M, Chen, Y.
Deposit date:2015-12-06
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.411 Å)
Cite:Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
5KZF
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BU of 5kzf by Molmil
Crystal structure of near full-length hexameric Mycobacterium tuberculosis proteasomal ATPase Mpa in apo form
Descriptor: Proteasome-associated ATPase
Authors:Li, H, Hu, K, Yang, S, Bai, L.
Deposit date:2016-07-25
Release date:2017-05-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Mycobacterium tuberculosis proteasomal ATPase Mpa has a beta-grasp domain that hinders docking with the proteasome core protease.
Mol. Microbiol., 105, 2017
7LUS
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BU of 7lus by Molmil
IgG2 Fc Charge Pair Mutation version 1 (CPMv1)
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant gamma 2
Authors:Sudom, A, Whittington, D, Garces, F, Wang, Z.
Deposit date:2021-02-23
Release date:2021-09-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Next generation Fc scaffold for multispecific antibodies.
Iscience, 24, 2021
8Y0Q
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BU of 8y0q by Molmil
Complex of FMDV O/18074 and inter-serotype broadly neutralizing antibodies pOA-2
Descriptor: VP1 of capsid protein, VP2 of capsid protein, VP3 of capsid protein, ...
Authors:Wu, S, Lei, D.
Deposit date:2024-01-23
Release date:2024-10-09
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.44 Å)
Cite:Discovery, recognized antigenic structures, and evolution of cross-serotype broadly neutralizing antibodies from porcine B-cell repertoires against foot-and-mouth disease virus.
Plos Pathog., 20, 2024
7R1U
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BU of 7r1u by Molmil
Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the WZ16 inhibitor
Descriptor: (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Klima, M, Boura, E, Li, F, Yazdi, A.K, Vedadi, M.
Deposit date:2022-02-03
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of SARS-CoV-2 nsp10-nsp16 in complex with small molecule inhibitors, SS148 and WZ16.
Protein Sci., 31, 2022
8Y0R
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BU of 8y0r by Molmil
Complex of FMDV A/WH/CHA/09 and inter-serotype broadly neutralizing antibodies pOA-2
Descriptor: VP1 of capsid protein, VP2 of capsid protein, VP3 of capsid protein, ...
Authors:Wu, S, Lei, D.
Deposit date:2024-01-23
Release date:2024-10-09
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Discovery, recognized antigenic structures, and evolution of cross-serotype broadly neutralizing antibodies from porcine B-cell repertoires against foot-and-mouth disease virus.
Plos Pathog., 20, 2024
7R1T
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BU of 7r1t by Molmil
Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the SS148 inhibitor
Descriptor: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Klima, M, Boura, E, Li, F, Yazdi, A.K, Vedadi, M.
Deposit date:2022-02-03
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of SARS-CoV-2 nsp10-nsp16 in complex with small molecule inhibitors, SS148 and WZ16.
Protein Sci., 31, 2022
3HU1
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BU of 3hu1 by Molmil
Structure of p97 N-D1 R95G mutant in complex with ATPgS
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
Authors:Tang, W.-K.
Deposit date:2009-06-12
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:A novel ATP-dependent conformation in p97 N-D1 fragment revealed by crystal structures of disease-related mutants.
Embo J., 29, 2010
5KWA
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BU of 5kwa by Molmil
complete structure of the Mycobacterium tuberculosis proteasomal ATPase Mpa
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Proteasome-associated ATPase
Authors:Wang, T, WU, Y.J.
Deposit date:2016-07-17
Release date:2017-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mycobacterium tuberculosis proteasomal ATPase Mpa has a beta-grasp domain that hinders docking with the proteasome core protease
Mol. Microbiol., 105, 2017
3HU3
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BU of 3hu3 by Molmil
Structure of p97 N-D1 R155H mutant in complex with ATPgS
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
Authors:Tang, W.-K.
Deposit date:2009-06-12
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A novel ATP-dependent conformation in p97 N-D1 fragment revealed by crystal structures of disease-related mutants.
Embo J., 29, 2010
3HU2
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BU of 3hu2 by Molmil
Structure of p97 N-D1 R86A mutant in complex with ATPgS
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
Authors:Tang, W.-K.
Deposit date:2009-06-12
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A novel ATP-dependent conformation in p97 N-D1 fragment revealed by crystal structures of disease-related mutants.
Embo J., 29, 2010
9JEF
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BU of 9jef by Molmil
Cryo-EM structure of human TRPV3 in complex with linalool determined in MSP2N2 nanodisc
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3~{R})-3,7-dimethylocta-1,6-dien-3-ol, Transient receptor potential cation channel subfamily V member 3
Authors:Lu, X, Yao, J.
Deposit date:2024-09-03
Release date:2025-03-26
Last modified:2025-04-02
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Plant essential oil targets TRPV3 for skin renewal and structural mechanism of action.
Nat Commun, 16, 2025
9JE5
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BU of 9je5 by Molmil
Cryo-EM structure of human TRPV3 in complex with citronellal determined in MSP2N2 nanodisc
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3~{S})-3,7-dimethyloct-6-enal, Transient receptor potential cation channel subfamily V member 3
Authors:Lu, X, Yao, J.
Deposit date:2024-09-02
Release date:2025-03-26
Last modified:2025-04-02
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Plant essential oil targets TRPV3 for skin renewal and structural mechanism of action.
Nat Commun, 16, 2025
9JEG
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BU of 9jeg by Molmil
Cryo-EM structure of human TRPV3 in complex with isodihydrolavandulal determined in MSP2N2 nanodisc
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (~{Z})-5-methyl-2-propan-2-yl-hex-2-enal, Transient receptor potential cation channel subfamily V member 3
Authors:Lu, X, Yao, J.
Deposit date:2024-09-03
Release date:2025-03-26
Last modified:2025-04-02
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Plant essential oil targets TRPV3 for skin renewal and structural mechanism of action.
Nat Commun, 16, 2025
9JEE
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BU of 9jee by Molmil
Cryo-EM structure of human TRPV3 in complex with citral determined in MSP2N2 nanodisc
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Geranaldehyde, Transient receptor potential cation channel subfamily V member 3
Authors:Lu, X, Yao, J.
Deposit date:2024-09-03
Release date:2025-03-26
Last modified:2025-04-02
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:Plant essential oil targets TRPV3 for skin renewal and structural mechanism of action.
Nat Commun, 16, 2025
9JDM
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BU of 9jdm by Molmil
Cryo-EM structure of human TRPV3 determined in MSP2N2 nanodisc
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Transient receptor potential cation channel subfamily V member 3
Authors:Lu, X, Yao, J.
Deposit date:2024-08-31
Release date:2025-03-26
Last modified:2025-04-02
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Plant essential oil targets TRPV3 for skin renewal and structural mechanism of action.
Nat Commun, 16, 2025
3AFK
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BU of 3afk by Molmil
Crystal Structure of Agrocybe aegerita lectin AAL complexed with Thomsen-Friedenreich antigen
Descriptor: Anti-tumor lectin, THREONINE, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
Authors:Feng, L, Li, D, Wang, D.
Deposit date:2010-03-09
Release date:2010-12-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insights into the recognition mechanism between an antitumor galectin AAL and the Thomsen-Friedenreich antigen
Faseb J., 24, 2010
7LUR
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BU of 7lur by Molmil
Stable Effector Functionless 2 (SEFL2) IgG1 Fc Scaffold Bound to a Minimized Version of the B-domain (Mini-Z) from Protein A Called Z34C
Descriptor: Immunoglobulin heavy constant gamma 1, Mini Z domain
Authors:Sudom, A, Garces, F, Wang, Z.
Deposit date:2021-02-23
Release date:2021-09-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Next generation Fc scaffold for multispecific antibodies.
Iscience, 24, 2021

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