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7WMZ
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BU of 7wmz by Molmil
Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase
Authors:Lin, W, Wang, W.
Deposit date:2022-01-17
Release date:2023-01-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.916 Å)
Cite:Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023
8KIA
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BU of 8kia by Molmil
Tomato spotted wilt virus L protein (apo state)
Descriptor: RNA-directed RNA polymerase L
Authors:Cao, L, Wang, X.
Deposit date:2023-08-23
Release date:2024-09-25
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis for the activation of plant bunyavirus replication machinery and its dual-targeted inhibition by ribavirin.
Nat.Plants, 11, 2025
8KI8
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BU of 8ki8 by Molmil
structure of Tomato spotted wilt virus L protein binding to 5'vRNA
Descriptor: RNA (5'-R(P*AP*GP*AP*GP*CP*AP*AP*UP*CP*A)-3'), RNA-directed RNA polymerase L
Authors:Cao, L, Wang, X.
Deposit date:2023-08-23
Release date:2024-09-25
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for the activation of plant bunyavirus replication machinery and its dual-targeted inhibition by ribavirin.
Nat.Plants, 11, 2025
8KI7
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BU of 8ki7 by Molmil
Structure of Tomato spotted wilt virus L protein contained endoH domain binding to 3'5'vRNA
Descriptor: RNA (5'-R(P*AP*CP*CP*UP*GP*AP*UP*UP*GP*CP*UP*CP*U)-3'), RNA (5'-R(P*AP*GP*AP*GP*CP*AP*AP*UP*CP*A)-3'), RNA (5'-R(P*GP*CP*AP*AP*UP*CP*AP*GP*G)-3'), ...
Authors:Cao, L, Wang, X.
Deposit date:2023-08-23
Release date:2024-09-25
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis for the activation of plant bunyavirus replication machinery and its dual-targeted inhibition by ribavirin.
Nat.Plants, 11, 2025
8KI6
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BU of 8ki6 by Molmil
Structure of tomato spotted wilt virus L protein binding to Ribavirin
Descriptor: 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide, RNA-directed RNA polymerase L
Authors:Cao, L, Wang, X.
Deposit date:2023-08-23
Release date:2024-09-25
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for the activation of plant bunyavirus replication machinery and its dual-targeted inhibition by ribavirin.
Nat.Plants, 11, 2025
8WGI
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BU of 8wgi by Molmil
Multicyclic peptide molecules targeting ROR1 with high affinity
Descriptor: R1-2
Authors:Liu, H.T.
Deposit date:2023-09-21
Release date:2024-09-25
Last modified:2025-04-23
Method:SOLUTION NMR
Cite:De Novo Discovery of Cysteine Frameworks for Developing Multicyclic Peptide Libraries for Ligand Discovery.
J.Am.Chem.Soc., 145, 2023
8WGJ
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BU of 8wgj by Molmil
Multicyclic peptide molecules targeting TROP2 with high affinity
Descriptor: T2
Authors:Liu, H.T.
Deposit date:2023-09-21
Release date:2024-09-25
Last modified:2025-04-23
Method:SOLUTION NMR
Cite:De Novo Discovery of Cysteine Frameworks for Developing Multicyclic Peptide Libraries for Ligand Discovery.
J.Am.Chem.Soc., 145, 2023
8I54
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BU of 8i54 by Molmil
Lb2Cas12a RNA DNA complex
Descriptor: DNA (25-MER), DNA (5'-D(*AP*GP*TP*GP*CP*TP*TP*TP*A)-3'), Lb2Cas12a, ...
Authors:Li, J, Sivaraman, J, Satoru, M.
Deposit date:2023-01-24
Release date:2023-02-22
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:Structures of apo Cas12a and its complex with crRNA and DNA reveal the dynamics of ternary complex formation and target DNA cleavage.
Plos Biol., 21, 2023
7Y8B
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BU of 7y8b by Molmil
Crystal structure of CotA laccase complexed with syringic acid
Descriptor: 3,5-dimethoxy-4-oxidanyl-benzoic acid, COPPER (II) ION, Spore coat protein A, ...
Authors:Liu, Z.C, Xie, T, Wang, G.G.
Deposit date:2022-06-23
Release date:2023-06-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular insights into substrate promiscuity of CotA laccase catalyzing lignin-phenol derivatives.
Int.J.Biol.Macromol., 256, 2023
7Y8C
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BU of 7y8c by Molmil
Crystal structure of CotA laccase complexed with syringaldehyde
Descriptor: 3,5-dimethoxy-4-oxidanyl-benzaldehyde, COPPER (II) ION, Spore coat protein A, ...
Authors:Liu, Z.C, Xie, T, Wang, G.G.
Deposit date:2022-06-23
Release date:2023-06-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular insights into substrate promiscuity of CotA laccase catalyzing lignin-phenol derivatives.
Int.J.Biol.Macromol., 256, 2023
9F0H
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BU of 9f0h by Molmil
cryo-EM structure of carboxysomal mini-shell icosahedral assembly from co-expression of CsoS1C, CsoS4A, and CsoS2-C (T = 9)
Descriptor: Carboxysome assembly protein CsoS2B, Carboxysome shell protein CsoS1C, Carboxysome shell vertex protein CsoS4A, ...
Authors:Wang, P, Marles-Wright, J, Liu, L.N.
Deposit date:2024-04-16
Release date:2024-12-11
Method:ELECTRON MICROSCOPY (1.8 Å)
Cite:Molecular principles of the assembly and construction of a carboxysome shell.
Sci Adv, 10, 2024
5JWB
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BU of 5jwb by Molmil
Structure of NDH2 from plasmodium falciparum in complex with NADH
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Yu, Y, Li, X.L.
Deposit date:2016-05-12
Release date:2017-03-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria
J. Med. Chem., 60, 2017
1WCI
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BU of 1wci by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
Descriptor: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-3-METHYL-BUTYL-THIAMIN, ...
Authors:Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
Deposit date:2004-11-16
Release date:2006-02-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
5JWC
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BU of 5jwc by Molmil
Structure of NDH2 from plasmodium falciparum in complex with RYL-552
Descriptor: 5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, ...
Authors:Yu, Y.
Deposit date:2016-05-12
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria
J. Med. Chem., 60, 2017
5D1M
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BU of 5d1m by Molmil
Crystal Structure of UbcH5B in Complex with the RING-U5BR Fragment of AO7 (P199A)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase RNF25, ...
Authors:Liang, Y.-H, Li, S, Weissman, A.M, Ji, X.
Deposit date:2015-08-04
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.581 Å)
Cite:Insights into Ubiquitination from the Unique Clamp-like Binding of the RING E3 AO7 to the E2 UbcH5B.
J.Biol.Chem., 290, 2015
6IGD
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BU of 6igd by Molmil
Crystal structure of HPV58/33 chimeric L1 pentamer
Descriptor: Major capsid protein L1
Authors:Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W.
Deposit date:2018-09-25
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity.
Nat Commun, 9, 2018
6IGE
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BU of 6ige by Molmil
Crystal structure of Human Papillomavirus type 33 pentamer
Descriptor: Major capsid protein L1
Authors:Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W.
Deposit date:2018-09-25
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity.
Nat Commun, 9, 2018
6IGF
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BU of 6igf by Molmil
Crystal structure of Human Papillomavirus type 52 pentamer
Descriptor: Major capsid protein L1
Authors:Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W.
Deposit date:2018-09-25
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity.
Nat Commun, 9, 2018
5Y9F
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BU of 5y9f by Molmil
Crystal structure of HPV59 pentamer in complex with the Fab fragment of antibody 28F10
Descriptor: Major capsid protein L1, heavy chain of Fab fragment of antibody 28F10, light chains of Fab fragment of antibody 28F10
Authors:Li, S.W, Li, Z.H.
Deposit date:2017-08-24
Release date:2017-10-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Crystal Structures of Two Immune Complexes Identify Determinants for Viral Infectivity and Type-Specific Neutralization of Human Papillomavirus.
MBio, 8, 2017
5Y9C
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BU of 5y9c by Molmil
Crystal structure of HPV58 pentamer in complex with the Fab fragment of antibody A12A3
Descriptor: Major capsid protein L1, heavy chain of Fab fragment of antibody A12A3, light chain of Fab fragment of antibody A12A3
Authors:Li, S.W, Li, Z.H.
Deposit date:2017-08-24
Release date:2017-10-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.443 Å)
Cite:Crystal Structures of Two Immune Complexes Identify Determinants for Viral Infectivity and Type-Specific Neutralization of Human Papillomavirus.
MBio, 8, 2017
5Y9E
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BU of 5y9e by Molmil
Crystal structure of HPV58 pentamer
Descriptor: GLYCEROL, MAGNESIUM ION, Major capsid protein L1
Authors:Li, S.W, Li, Z.H.
Deposit date:2017-08-24
Release date:2017-10-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.042 Å)
Cite:Crystal Structures of Two Immune Complexes Identify Determinants for Viral Infectivity and Type-Specific Neutralization of Human Papillomavirus.
MBio, 8, 2017
3JUE
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BU of 3jue by Molmil
Crystal Structure of ArfGAP and ANK repeat domain of ACAP1
Descriptor: ARFGAP with coiled-coil, ANK repeat and PH domain-containing protein 1, SULFATE ION, ...
Authors:Pang, X, Zhang, K, Ma, J, Zhou, Q, Sun, F.
Deposit date:2009-09-15
Release date:2010-09-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanistic insights into regulated cargo binding by ACAP1 protein
J.Biol.Chem., 287, 2012
3RWP
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BU of 3rwp by Molmil
Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1)
Descriptor: 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
Authors:Greasley, S.E, Hickey, M, Ferre, R.-A, Krauss, M, Cronin, C.
Deposit date:2011-05-09
Release date:2011-11-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1).
J.Med.Chem., 54, 2011
3RWQ
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BU of 3rwq by Molmil
Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1)
Descriptor: 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
Authors:Kazmirski, S, Kohls, D.
Deposit date:2011-05-09
Release date:2011-11-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1).
J.Med.Chem., 54, 2011
1JI6
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BU of 1ji6 by Molmil
CRYSTAL STRUCTURE OF THE INSECTICIDAL BACTERIAL DEL ENDOTOXIN CRY3Bb1 BACILLUS THURINGIENSIS
Descriptor: PESTICIDIAL CRYSTAL PROTEIN CRY3BB
Authors:Cody, V.
Deposit date:2001-06-29
Release date:2001-09-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the insecticidal bacterial delta-endotoxin Cry3Bb1 of Bacillus thuringiensis.
Acta Crystallogr.,Sect.D, 57, 2001

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