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7PLK
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BU of 7plk by Molmil
Crystal structure bovine Hsc70(aa1-554)E213A/D214A in complex with nicotinic-acid-derivative
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-pyrrol-1-ylpyridine-3-carboxylic acid, GLYCEROL, ...
Authors:Zehe, M, Grimm, C, Sotriffer, C.
Deposit date:2021-08-31
Release date:2022-09-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.48781371 Å)
Cite:Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
7AXD
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BU of 7axd by Molmil
Crystal structure of the hPXR-LBD in complex with fipronil
Descriptor: ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, fipronil
Authors:Granell, M, Delfosse, V, Bourguet, W.
Deposit date:2020-11-09
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AXL
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BU of 7axl by Molmil
Crystal structure of the hPXR-LBD in complex with estradiol and heptachlor endo-epoxide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ESTRADIOL, Nuclear receptor subfamily 1 group I member 2, ...
Authors:Delfosse, V, Granell, M, Blanc, P, Bourguet, W.
Deposit date:2020-11-09
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7EA3
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BU of 7ea3 by Molmil
Intact Ypt32-TRAPPII (dimer).
Descriptor: GTP-binding protein YPT32/YPT11, TRAPP-associated protein TCA17, Trafficking protein particle complex II-specific subunit 120, ...
Authors:Mi, C.C, Sui, S.F.
Deposit date:2021-03-06
Release date:2022-02-09
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4.31 Å)
Cite:Structural basis for assembly of TRAPPII complex and specific activation of GTPase Ypt31/32.
Sci Adv, 8, 2022
7PV0
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BU of 7pv0 by Molmil
Crystal structure of a Mic60-Mic19 fusion protein
Descriptor: MICOS complex subunit MIC60,MICOS complex subunit MIC60-MIC19,Mic60-Mic19, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)
Authors:Funck, K, Bock-Bierbaum, T, Daumke, O.
Deposit date:2021-10-01
Release date:2022-09-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural insights into crista junction formation by the Mic60-Mic19 complex.
Sci Adv, 8, 2022
7SN9
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BU of 7sn9 by Molmil
Cryo-EM structure of the Sinorhizobium meliloti flagellar filament
Descriptor: Flagellin A
Authors:Kreutzberger, M.A.B, Scharf, B.E, Egelman, E.H.
Deposit date:2021-10-27
Release date:2022-03-16
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Flagellin outer domain dimerization modulates motility in pathogenic and soil bacteria from viscous environments.
Nat Commun, 13, 2022
2LZU
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BU of 2lzu by Molmil
Solution structure of LIMD2
Descriptor: LIM domain-containing protein 2, ZINC ION
Authors:Talebzadeh Farooji, M, Peng, H, Rauscher, F.J, Borden, K.K.L, Osborne, M.J.
Deposit date:2012-10-10
Release date:2014-04-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure of LIMD2
To be Published
7SQD
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BU of 7sqd by Molmil
Cryo-EM structure of the Achromobacter flagellar filament
Descriptor: Flagellin
Authors:Kreutzberger, M.A, Wang, F, Egelman, E.H.
Deposit date:2021-11-05
Release date:2022-03-16
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Flagellin outer domain dimerization modulates motility in pathogenic and soil bacteria from viscous environments.
Nat Commun, 13, 2022
2HSQ
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BU of 2hsq by Molmil
Human vinculin (head domain, Vh1, residues 1-258) in complex with Shigella's IpaA vinculin binding site 2 (residues 565-587)
Descriptor: Invasin ipaA, Vinculin
Authors:Izard, T.
Deposit date:2006-07-22
Release date:2006-11-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.97 Å)
Cite:Shigella applies molecular mimicry to subvert vinculin and invade host cells.
J.Cell Biol., 175, 2006
7B1G
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BU of 7b1g by Molmil
TRPC4 in complex with Calmodulin
Descriptor: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, CALCIUM ION, Calmodulin-1, ...
Authors:Vinayagam, D, Quentin, D, Sistel, O, Merino, F, Stabrin, M, Hofnagel, O, Ledeboer, M.W, Malojcic, G, Raunser, S.
Deposit date:2020-11-24
Release date:2020-12-09
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of TRPC4 regulation by calmodulin and pharmacological agents.
Elife, 9, 2020
7T3P
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BU of 7t3p by Molmil
IP3 and ATP bound type 3 IP3 receptor in the pre-active A state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ...
Authors:Schmitz, E.A, Takahashi, H, Karakas, E.
Deposit date:2021-12-08
Release date:2022-03-23
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for activation and gating of IP 3 receptors.
Nat Commun, 13, 2022
7AIF
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BU of 7aif by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-GLUTAMATE TENOFOVIR WITH BOUND MANGANESE
Descriptor: DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ...
Authors:Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
Deposit date:2020-09-27
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
7PZF
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BU of 7pzf by Molmil
Crystal structure of the OmpK36 TD insertion chimera from Klebsiella pneumonia
Descriptor: LITHIUM ION, OmpK36, TETRADECANE
Authors:Kwong, H, Beis, K.
Deposit date:2021-10-12
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Widespread emergence of OmpK36 loop 3 insertions among multidrug-resistant clones of Klebsiella pneumoniae.
Plos Pathog., 18, 2022
2HT0
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BU of 2ht0 by Molmil
IHF bound to doubly nicked DNA
Descriptor: 5'-D(*CP*GP*GP*TP*GP*CP*AP*AP*CP*AP*AP*AP*T)-3', 5'-D(*GP*CP*TP*TP*AP*TP*CP*AP*AP*TP*TP*TP*GP*TP*TP*GP*CP*AP*CP*C)-3', 5'-D(*GP*GP*CP*CP*AP*AP*AP*AP*AP*AP*GP*CP*AP*TP*T)-3', ...
Authors:Swinger, K.K, Rice, P.A.
Deposit date:2006-07-24
Release date:2006-11-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based Analysis of HU-DNA Binding.
J.Mol.Biol., 365, 2007
7PNS
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BU of 7pns by Molmil
Protein kinase A catalytic subunit in complex with PKI5-24 and EN081
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-6-[5-[(dimethylamino)methyl]-2-fluoranyl-phenyl]-1H-indole-3-carbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Glinca, S, Mueller, J.M, Ruf, M, Merkl, S.
Deposit date:2021-09-07
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.855 Å)
Cite:Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
7T3Q
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BU of 7t3q by Molmil
IP3 and ATP bound type 3 IP3 receptor in the pre-active B state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ...
Authors:Schmitz, E.A, Takahashi, H, Karakas, E.
Deposit date:2021-12-08
Release date:2022-03-23
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for activation and gating of IP 3 receptors.
Nat Commun, 13, 2022
7TB3
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BU of 7tb3 by Molmil
cryo-EM structure of MBP-KIX-apoferritin
Descriptor: Isoform 2 of CREB-binding protein,Ferritin heavy chain, N-terminally processed
Authors:Zhang, K, Horikoshi, N, Li, S, Powers, A, Hameedi, M, Pintilie, G, Chae, H, Khan, Y, Suomivuori, C, Dror, R, Sakamoto, K, Chiu, W, Wakatsuki, S.
Deposit date:2021-12-21
Release date:2022-03-16
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:Cryo-EM, Protein Engineering, and Simulation Enable the Development of Peptide Therapeutics against Acute Myeloid Leukemia.
Acs Cent.Sci., 8, 2022
3IOB
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BU of 3iob by Molmil
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.80 Ang resolution in complex with 5'-deoxy-5'-thioadenosine
Descriptor: 5'-thioadenosine, ETHANOL, GLYCEROL, ...
Authors:Ciulli, A, Scott, D.E, Abell, C.
Deposit date:2009-08-14
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Fragment-Based Approach to Probing Adenosine Recognition Sites by Using Dynamic Combinatorial Chemistry
Chembiochem, 10, 2009
8P2R
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BU of 8p2r by Molmil
Human Aldose Reductase Mutant A299G/L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
Descriptor: 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, CITRIC ACID, ...
Authors:Klee, L.-S, Heine, A, Klebe, G.
Deposit date:2023-05-16
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Human Aldose Reductase Mutant A299G/L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
To Be Published
8P3C
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BU of 8p3c by Molmil
Full length structure of BpMIP with bound inhibitor NJS227.
Descriptor: (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
Deposit date:2023-05-17
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural dynamics of macrophage infectivity potentiator proteins (MIPs) are differentially modulated by inhibitors and appendage domains
To Be Published
7T3T
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BU of 7t3t by Molmil
IP3, ATP, and Ca2+ bound type 3 IP3 receptor in the active state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ...
Authors:Schmitz, E.A, Takahashi, H, Karakas, E.
Deposit date:2021-12-08
Release date:2022-03-23
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis for activation and gating of IP 3 receptors.
Nat Commun, 13, 2022
7T3U
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BU of 7t3u by Molmil
IP3, ATP, and Ca2+ bound type 3 IP3 receptor in the inactive state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ...
Authors:Schmitz, E.A, Takahashi, H, Karakas, E.
Deposit date:2021-12-08
Release date:2022-03-23
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis for activation and gating of IP 3 receptors.
Nat Commun, 13, 2022
7KGT
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BU of 7kgt by Molmil
Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N226-234
Descriptor: ACETATE ION, Beta-2-microglobulin, CADMIUM ION, ...
Authors:Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S.
Deposit date:2020-10-18
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The presentation of SARS-CoV-2 peptides by the common HLA-A*02:01 molecule.
Iscience, 24, 2021
3I73
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BU of 3i73 by Molmil
Structural characterization for the nucleotide binding ability of subunit A with ADP of the A1AO ATP synthase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, A-TYPE ATP SYNTHASE CATALYTIC SUBUNIT A, ...
Authors:Manimekalai, S.M.S, Kumar, A, Balakrishna, A.M, Gruber, G.
Deposit date:2009-07-08
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Nucleotide binding states of subunit A of the A-ATP synthase and the implication of P-loop switch in evolution.
J.Mol.Biol., 396, 2010
7KHW
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BU of 7khw by Molmil
Cryo-EM structure of enteropathogenic Escherichia coli type III secretion system EspA filament
Descriptor: Translocon EspA
Authors:Zheng, W, Ilangovan, A, Costa, T.R.D, Egelman, E.H.
Deposit date:2020-10-22
Release date:2020-12-23
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryoelectron-microscopy structure of the enteropathogenic Escherichia coli type III secretion system EspA filament.
Proc.Natl.Acad.Sci.USA, 118, 2021

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PDB entries from 2024-08-21

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