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7A8U
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BU of 7a8u by Molmil
Crystal structure of sarcomeric protein FATZ-1 (d91-FATZ-1 construct) in complex with rod domain of alpha-actinin-2
Descriptor: Alpha-actinin-2, Myozenin-1
Authors:Sponga, A, Arolas, J.L, Rodriguez Chamorro, A, Mlynek, G, Hollerl, E, Schreiner, C, Pedron, M, Kostan, J, Ribeiro, E.A, Djinovic-Carugo, K.
Deposit date:2020-08-31
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.802 Å)
Cite:Order from disorder in the sarcomere: FATZ forms a fuzzy but tight complex and phase-separated condensates with alpha-actinin.
Sci Adv, 7, 2021
6LTF
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BU of 6ltf by Molmil
Dimeric isocitrate dehydrogenase from Xanthomonas campestris pv. campestris 8004
Descriptor: BENZOIC ACID, Isocitrate dehydrogenase
Authors:Zhu, G.P.
Deposit date:2020-01-22
Release date:2021-02-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Dimeric isocitrate dehydrogenase from Xanthomonas campestris pv. campestris 8004
To Be Published
6V8Z
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BU of 6v8z by Molmil
VRC03 and 10-1074 Bound BG505 F14 HIV-1 SOSIP Envelope Trimer Structure
Descriptor: 10-1074 Fab Heavy Chain, 10-1074 Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Henderson, R, Acharya, P.
Deposit date:2019-12-12
Release date:2020-02-05
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Disruption of the HIV-1 Envelope allosteric network blocks CD4-induced rearrangements.
Nat Commun, 11, 2020
6MFI
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BU of 6mfi by Molmil
MIM-2 Metallo-Beta-Lactamase
Descriptor: Metallo-beta-lactamase, ZINC ION
Authors:Selleck, C, Guddat, L, Schenk, G, Monteiro Pedroso, M.
Deposit date:2018-09-11
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.839 Å)
Cite:characterization of the B3 MBLs MIM-1 and MIM-2 from environmental microorganisms.
Chemistry, 23, 2017
6ZWW
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BU of 6zww by Molmil
Crystal structure of E. coli RNA helicase HrpA in complex with RNA
Descriptor: ATP-dependent RNA helicase HrpA, CALCIUM ION, ssRNA
Authors:Grass, L.M, Wollenhaupt, J, Barthel, T, Loll, B, Wahl, M.C.
Deposit date:2020-07-29
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Large-scale ratcheting in a bacterial DEAH/RHA-type RNA helicase that modulates antibiotics susceptibility.
Proc.Natl.Acad.Sci.USA, 118, 2021
7MT7
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BU of 7mt7 by Molmil
Mtb 70S with P and E site tRNAs
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Cui, Z, Zhang, J.
Deposit date:2021-05-13
Release date:2022-02-02
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Interplay between an ATP-binding cassette F protein and the ribosome from Mycobacterium tuberculosis.
Nat Commun, 13, 2022
6V9N
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BU of 6v9n by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 4-phenoxybenzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-12-13
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
8DNN
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BU of 8dnn by Molmil
Crystal structure of neutralizing antibody 80 in complex with SARS-CoV-2 receptor binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 80 FAB HEAVY CHAIN, 80 FAB LIGHT CHAIN, ...
Authors:Muthuraman, K, Kucharska, I, Ivanochko, D, Julien, J.P.
Deposit date:2022-07-11
Release date:2023-05-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:A multi-specific, multi-affinity antibody platform neutralizes sarbecoviruses and confers protection against SARS-CoV-2 in vivo.
Sci Transl Med, 15, 2023
6P5H
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BU of 6p5h by Molmil
Structure of MavC middle insertion domain
Descriptor: MavC
Authors:Negron Teron, K.I, Puvar, K, Iyer, S, Das, C.
Deposit date:2019-05-30
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Legionella effector MavC targets the Ube2N~Ub conjugate for noncanonical ubiquitination.
Nat Commun, 11, 2020
6MFS
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BU of 6mfs by Molmil
Mouse talin1 residues 1-138 fused to residues 169-400 in complex with phosphatidylinositol 4,5-bisphosphate (PIP2)
Descriptor: PHOSPHATE ION, Talin-1 fusion, [(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:Izard, T, Chinthalapudi, K, Rangarajan, E.S.
Deposit date:2018-09-12
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The interaction of talin with the cell membrane is essential for integrin activation and focal adhesion formation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6UTN
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BU of 6utn by Molmil
Native E. coli Glyceraldehyde 3-phosphate dehydrogenase
Descriptor: ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, PHOSPHATE ION, ...
Authors:Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A.
Deposit date:2019-10-29
Release date:2019-12-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
6P5O
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BU of 6p5o by Molmil
The structure of rat cytosolic PEPCK in complex with 3-(carboxymethylthiol)-picolinic acid
Descriptor: 3-[(carboxymethyl)sulfanyl]pyridine-2-carboxylic acid, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, ...
Authors:Mcleod, M.J, Holyoak, T.
Deposit date:2019-05-30
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Characterization of 3-[(Carboxymethyl)thio]picolinic Acid: A Novel Inhibitor of Phosphoenolpyruvate Carboxykinase.
Biochemistry, 58, 2019
7M26
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BU of 7m26 by Molmil
Human carbonic anhydrase II in complex with pioglitazone
Descriptor: (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION
Authors:Mueller, S.L, Peat, T.S.
Deposit date:2021-03-16
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
6P5R
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BU of 6p5r by Molmil
Structure of T. brucei MERS1-GDP complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Mitochondrial edited mRNA stability factor 1
Authors:Schumacher, M.A.
Deposit date:2019-05-30
Release date:2019-11-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structures of MERS1, the 5' processing enzyme of mitochondrial mRNAs inTrypanosoma brucei.
Rna, 26, 2020
6UTS
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BU of 6uts by Molmil
Crystal Structure of bacterial pirin YhhW in complex with nickel(II) from Escherichia coli
Descriptor: NICKEL (II) ION, Quercetin 2,3-dioxygenase
Authors:Guo, B, Zhang, Y, Jia, Z.
Deposit date:2019-10-29
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structure-Dependent Modulation of Substrate Binding and Biodegradation Activity of Pirin Proteins toward Plant Flavonols.
Acs Chem.Biol., 14, 2019
7M24
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BU of 7m24 by Molmil
Human carbonic anhydrase II in complex with (R)-rosiglitazone
Descriptor: (R)-ROSIGLITAZONE, Carbonic anhydrase 2, ZINC ION
Authors:Mueller, S.L, Peat, T.S.
Deposit date:2021-03-16
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
6MFV
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BU of 6mfv by Molmil
Crystal structure of the Signal Transduction ATPase with Numerous Domains (STAND) protein with a tetratricopeptide repeat sensor PH0952 from Pyrococcus horikoshii
Descriptor: ADENOSINE-5'-DIPHOSPHATE, tetratricopeptide repeat sensor PH0952
Authors:Lisa, M.N, Alzari, P.M, Haouz, A, Danot, O.
Deposit date:2018-09-12
Release date:2019-02-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Double autoinhibition mechanism of signal transduction ATPases with numerous domains (STAND) with a tetratricopeptide repeat sensor.
Nucleic Acids Res., 47, 2019
6ZQK
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BU of 6zqk by Molmil
HER2-binding scFv-Fab fusion 841
Descriptor: 1,2-ETHANEDIOL, 841 heavy chain, 841 light chain
Authors:Kast, F, Schwill, M, Stueber, J.C, Pfundstein, S, Nagy-Davidescu, G, Monne Rodriguez, J.M, Seehusen, F, Richter, C.P, Honegger, A, Hartmann, K.P, Weber, T.G, Kroener, F, Ernst, P, Piehler, J, Plueckthun, A.
Deposit date:2020-07-09
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Engineering an anti-HER2 biparatopic antibody with a multimodal mechanism of action.
Nat Commun, 12, 2021
6UTV
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BU of 6utv by Molmil
E. coli sigma-S transcription initiation complex with a 6-nt RNA ("Fresh" crystal soaked with CTP, UTP, GTP, and ddATP for 150 seconds)
Descriptor: DIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Zuo, Y, De, S, Steitz, T.A.
Deposit date:2019-10-30
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020
8E5E
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BU of 8e5e by Molmil
Crystal structure of double-stranded DNA deaminase toxin DddA in complex with DNA with the target cytosine flipped into the active site
Descriptor: DNA (5'-D(*GP*CP*AP*AP*CP*GP*TP*CP*CP*GP*GP*TP*AP*C)-3'), DNA (5'-D(*GP*TP*AP*CP*CP*GP*GP*AP*CP*GP*TP*TP*GP*C)-3'), Double-stranded DNA deaminase toxin A, ...
Authors:Yin, L, Shi, K, Aihara, H.
Deposit date:2022-08-21
Release date:2023-05-24
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural basis of sequence-specific cytosine deamination by double-stranded DNA deaminase toxin DddA.
Nat.Struct.Mol.Biol., 30, 2023
6M4O
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BU of 6m4o by Molmil
Cryo-EM structure of the monomeric SPT-ORMDL3 complex
Descriptor: ORM1-like protein 3, PYRIDOXAL-5'-PHOSPHATE, Serine palmitoyltransferase 1, ...
Authors:Li, S.S, Xie, T, Wang, L, Gong, X.
Deposit date:2020-03-08
Release date:2021-02-10
Last modified:2021-03-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into the assembly and substrate selectivity of human SPT-ORMDL3 complex.
Nat.Struct.Mol.Biol., 28, 2021
7MK5
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BU of 7mk5 by Molmil
Crystal structure of Escherichia coli ClpP covalently inhibited by clipibicyclene
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-[(1E)-3-{[(2E,4E,6E,8S)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2H)-carboxylic acid, ACETATE ION, ...
Authors:Culp, E.J, Sychantha, D, Hobson, C, Pawlowski, A.J, Prehna, G, Wright, G.D.
Deposit date:2021-04-21
Release date:2022-02-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:ClpP inhibitors are produced by a widespread family of bacterial gene clusters.
Nat Microbiol, 7, 2022
6P5V
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BU of 6p5v by Molmil
Structure of DCN1 bound to N-((4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-methylbenzamide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Lysozyme,DCN1-like protein 1 fusion, N-[(4S,5S)-1-[(1S)-cyclohex-3-en-1-yl]-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzamide
Authors:Guy, R.K, Kim, H.S, Hammill, J.T, Scott, D.C, Schulman, B.A.
Deposit date:2019-05-31
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:Discovery of Novel Pyrazolo-pyridone DCN1 Inhibitors Controlling Cullin Neddylation.
J.Med.Chem., 62, 2019
8DXL
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BU of 8dxl by Molmil
HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-iodopyrazole at multiple sites
Descriptor: 1,2-ETHANEDIOL, 4-IODOPYRAZOLE, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E.
Deposit date:2022-08-02
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening.
J.Med.Chem., 66, 2023
6V9Z
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BU of 6v9z by Molmil
Cryo-EM structure of PCAT1 bound to its CtA peptide substrate
Descriptor: ABC-type bacteriocin transporter, CtA
Authors:Kieuvongngam, V, Oldham, M.L, Chen, J.
Deposit date:2019-12-16
Release date:2020-01-22
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structural basis of substrate recognition by a polypeptide processing and secretion transporter.
Elife, 9, 2020

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数据于2024-10-30公开中

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