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PDB: 537 results

1L0L
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BU of 1l0l by Molmil
structure of bovine mitochondrial cytochrome bc1 complex with a bound fungicide famoxadone
Descriptor: Cytochrome B, Cytochrome c1, heme protein, ...
Authors:Gao, X, Wen, X, Yu, C.A, Esser, L, Tsao, S, Quinn, B, Zhang, L, Yu, L, Xia, D.
Deposit date:2002-02-11
Release date:2003-04-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Crystal Structure of Mitochondrial Cytochrome bc1 in Complex with Famoxadone: The Role of Aromatic-Aromatic Interaction in Inhibition
Biochemistry, 41, 2003
5Y9H
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BU of 5y9h by Molmil
Crystal structure of SafDAA-dsc complex
Descriptor: SafD,Putative outer membrane protein,Putative outer membrane protein,Putative outer membrane protein
Authors:Zeng, L.H, Zhang, L, Wang, P.R, Meng, G.
Deposit date:2017-08-25
Release date:2017-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of host recognition and biofilm formation by Salmonella Saf pili
Elife, 6, 2017
5Y9G
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Crystal structure of Salmonella SafD adhesin
Descriptor: Pilin structural protein SafD,Pilus assembly protein
Authors:Zeng, L.H, Zhang, L, Wang, P.R, Meng, G.
Deposit date:2017-08-25
Release date:2017-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of host recognition and biofilm formation by Salmonella Saf pili
Elife, 6, 2017
7NEV
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BU of 7nev by Molmil
Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin
Descriptor: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2021-02-05
Release date:2021-03-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7RAV
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BU of 7rav by Molmil
Cryo-EM structure of the unliganded form of NLR family apoptosis inhibitory protein 5 (NAIP5)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Baculoviral IAP repeat-containing protein 1e
Authors:Paidimuddala, B, Cao, J, Xie, Q, Wu, H, Zhang, L.
Deposit date:2021-07-02
Release date:2023-01-11
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mechanism of NAIP-NLRC4 inflammasome activation revealed by cryo-EM structure of unliganded NAIP5.
Nat.Struct.Mol.Biol., 30, 2023
6A67
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Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody FLD21.140
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLD21.140 Heavy Chain, FLD21.140 Light Chain, ...
Authors:Wang, P, Zuo, Y, Sun, J, Zhang, L, Wang, X.
Deposit date:2018-06-26
Release date:2018-08-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Complementary recognition of the receptor-binding site of highly pathogenic H5N1 influenza viruses by two human neutralizing antibodies.
J. Biol. Chem., 293, 2018
3WQN
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BU of 3wqn by Molmil
Crystal structure of Rv3378c_Y51F with TPP
Descriptor: (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Diterpene synthase, PHOSPHATE ION
Authors:Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T.
Deposit date:2014-01-28
Release date:2014-02-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
6WYF
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BU of 6wyf by Molmil
Crystal structure of Human H-chain Ferritin variant 157C Delta C-star Modified with a RAFT Agent Soaked in an Acrylate Solution
Descriptor: CALCIUM ION, FE (III) ION, Ferritin heavy chain, ...
Authors:Bailey, J.B, Zhang, L.
Deposit date:2020-05-12
Release date:2020-11-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Anisotropic Dynamics and Mechanics of Macromolecular Crystals Containing Lattice-Patterned Polymer Networks.
J.Am.Chem.Soc., 142, 2020
3WQL
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BU of 3wql by Molmil
Crystal structure of Rv3378c with Mg2+ and PPi
Descriptor: Diterpene synthase, MAGNESIUM ION
Authors:Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T.
Deposit date:2014-01-28
Release date:2014-02-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
3RZL
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BU of 3rzl by Molmil
Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage
Descriptor: 5'-D(*AP*TP*GP*TP*AP*TP*CP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*IP*AP*TP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ...
Authors:Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C.
Deposit date:2011-05-11
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
3S5A
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BU of 3s5a by Molmil
ABH2 cross-linked to undamaged dsDNA-2 with cofactors
Descriptor: 2-OXOGLUTARIC ACID, 5'-D(*CP*TP*GP*TP*CP*TP*CP*AP*CP*TP*GP*TP*CP*G)-3', 5'-D(*TP*CP*GP*AP*CP*AP*GP*TP*GP*AP*GP*AP*CP*A)-3', ...
Authors:Yi, C, Chen, B, Qi, B, Ramirez, B, Zhang, W, Jia, G, Zhang, L, Li, C.Q, Dinner, A.R, Yang, C.-G, He, C.
Deposit date:2011-05-21
Release date:2012-06-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
8FML
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BU of 8fml by Molmil
Cryo-EM structure of NLR family apoptosis inhibitory protein 5 (NAIP5) in complex with a full-length flagellin (FliC) ligand
Descriptor: Baculoviral IAP repeat-containing protein 1e, Flagellin
Authors:Paidimuddala, B, Zhang, L.
Deposit date:2022-12-23
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural basis for flagellin-induced NAIP5 activation.
Sci Adv, 9, 2023
3S57
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BU of 3s57 by Molmil
ABH2 cross-linked with undamaged dsDNA-1 containing cofactors
Descriptor: 2-OXOGLUTARIC ACID, 5'-D(*CP*TP*GP*TP*CP*AP*TP*CP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*GP*AP*TP*GP*AP*CP*A)-3', ...
Authors:Yi, C, Chen, B, Qi, B, Ramirez, B, Zhang, W, Jia, G, Zhang, L, Li, C.Q, Dinner, A.R, Yang, C.-G, He, C.
Deposit date:2011-05-20
Release date:2012-06-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
6WYG
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BU of 6wyg by Molmil
Crystal structure of Human H-chain Ferritin variant 157C Delta C-star Modified with a RAFT agent
Descriptor: CALCIUM ION, FE (III) ION, Ferritin heavy chain, ...
Authors:Bailey, J.B, Zhang, L.
Deposit date:2020-05-12
Release date:2020-11-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Anisotropic Dynamics and Mechanics of Macromolecular Crystals Containing Lattice-Patterned Polymer Networks.
J.Am.Chem.Soc., 142, 2020
6WYH
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BU of 6wyh by Molmil
Crystal structure of Human H-chain Ferritin variant 157C Delta C-star Modified with a RAFT Agent Soaked in an Acrylate Solution
Descriptor: CALCIUM ION, FE (III) ION, Ferritin heavy chain, ...
Authors:Bailey, J.B, Zhang, L.
Deposit date:2020-05-12
Release date:2020-11-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Anisotropic Dynamics and Mechanics of Macromolecular Crystals Containing Lattice-Patterned Polymer Networks.
J.Am.Chem.Soc., 142, 2020
2MVT
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BU of 2mvt by Molmil
Solution structure of scoloptoxin SSD609 from Scolopendra mutilans
Descriptor: Scoloptoxin SSD609
Authors:Wu, F, Sun, P, Wang, C, He, Y, Zhang, L, Tian, C.
Deposit date:2014-10-14
Release date:2015-09-23
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:A distinct three-helix centipede toxin SSD609 inhibits Iks channels by interacting with the KCNE1 auxiliary subunit.
Sci Rep, 5, 2015
7FJS
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BU of 7fjs by Molmil
Crystal structure of T6 Fab bound to theSARS-CoV-2 RBD of B.1.351
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, T6 heavy chain, ...
Authors:Wang, X, Zhang, L, Zhang, S, Liang, Q.
Deposit date:2021-08-04
Release date:2022-04-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants.
Iscience, 25, 2022
4OPN
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BU of 4opn by Molmil
Crystal structure of mouse glyoxalase I complexed with mAH
Descriptor: L-gamma-glutamyl-N-(3-ethynylphenyl)-N-hydroxy-L-glutaminylglycine, Lactoylglutathione lyase, ZINC ION
Authors:Zhai, J, Zhang, L, Yuan, M, Zhang, H.
Deposit date:2014-02-06
Release date:2015-02-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Reversible Inhibition of Glyoxalase I: Synthesis and Activity Evaluation
To be Published
6IRL
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BU of 6irl by Molmil
Crystal structure of 8-mer peptide from avian influenza H5N1 virus in complex with BF2*1501
Descriptor: ARG-ARG-GLU-VAL-HIS-THR-TYR-TYR, Beta-2-microglobulin, MHC class I molecule
Authors:Xiao, L, Zhang, L.
Deposit date:2018-11-13
Release date:2020-03-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the MHC-I molecule BF2*1501 disclose the preferred presentation of an H5N1 virus-derived epitope.
J.Biol.Chem., 295, 2020
8CTJ
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BU of 8ctj by Molmil
Cryo-EM structure of TMEM87A
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Transmembrane protein 87A
Authors:Hoel, C.M, Zhang, L, Brohawn, S.G.
Deposit date:2022-05-15
Release date:2022-07-20
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (4.74 Å)
Cite:Structure of the GOLD-domain seven-transmembrane helix protein family member TMEM87A.
Elife, 11, 2022
5HA9
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BU of 5ha9 by Molmil
Crystal structure-based design and disovery of a novel PARP1 antiagonist (BL-PA10) that induces apoptosis and inhibits metastasis in triple negative breast cancer
Descriptor: Amitriptyline, GLYCEROL, Poly [ADP-ribose] polymerase 1, ...
Authors:Fu, L, Peng, H, Zhang, L, Ouyang, L.
Deposit date:2015-12-30
Release date:2016-03-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (4.01 Å)
Cite:Crystal structure-based discovery of a novel synthesized PARP1 inhibitor (OL-1) with apoptosis-inducing mechanisms in triple-negative breast cancer.
Sci Rep, 6, 2016
7QFT
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BU of 7qft by Molmil
Crystal structure of KLK6 in complex with compound 16a
Descriptor: KLK6 Activity-Based Probe (Ahx-DPhe-Cha-Dht-Arg-DPP), Kallikrein-6
Authors:Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J.
Deposit date:2021-12-06
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion.
J.Am.Chem.Soc., 144, 2022
7QFV
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BU of 7qfv by Molmil
Crystal structure of KLK6 in complex with compound 17a
Descriptor: KLK6 Activity-Based Probe (Ahx-DPhe-Ser(Z)-Dht-Arg-DPP), Kallikrein-6
Authors:Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J.
Deposit date:2021-12-06
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion.
J.Am.Chem.Soc., 144, 2022
7REF
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BU of 7ref by Molmil
Structure of MS3494 from Mycobacterium smegmatis
Descriptor: BROMIDE ION, MS3494
Authors:Kent, J.E, Aleshin, A.E, Zhang, L, Niederweis, M, Marassi, F.M.
Deposit date:2021-07-12
Release date:2021-08-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A periplasmic cinched protein is required for siderophore secretion and virulence of Mycobacterium tuberculosis.
Nat Commun, 13, 2022
7QBA
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BU of 7qba by Molmil
CryoEM structure of the ABC transporter NosDFY complexed with nitrous oxide reductase NosZ
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
Authors:Zipfel, S, Mueller, C, Topitsch, A, Lutz, M, Zhang, L, Einsle, O.
Deposit date:2021-11-18
Release date:2022-08-03
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022

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