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7OEA
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BU of 7oea by Molmil
Lassa virus L protein bound to 3' promoter RNA (well-resolved polymerase core) [3END-CORE]
Descriptor: 3' vRNA, MAGNESIUM ION, RNA-directed RNA polymerase L, ...
Authors:Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S.
Deposit date:2021-05-02
Release date:2021-12-01
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
7OCH
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BU of 7och by Molmil
Apo-structure of Lassa virus L protein (well-resolved polymerase core) [APO-CORE]
Descriptor: MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION
Authors:Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S.
Deposit date:2021-04-26
Release date:2021-12-01
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
7OE3
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BU of 7oe3 by Molmil
Apo-structure of Lassa virus L protein (well-resolved endonuclease) [APO-ENDO]
Descriptor: MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION
Authors:Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S.
Deposit date:2021-05-01
Release date:2021-12-01
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
7OEB
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BU of 7oeb by Molmil
Lassa virus L protein bound to 3' promoter RNA (well-resolved endonuclease) [3END-ENDO]
Descriptor: 3' vRNA, MAGNESIUM ION, RNA-directed RNA polymerase L, ...
Authors:Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S.
Deposit date:2021-05-02
Release date:2021-12-01
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
7QUO
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BU of 7quo by Molmil
FimH lectin domain in complex with oligomannose-6
Descriptor: FimH, NICKEL (II) ION, SULFATE ION, ...
Authors:Bouckaert, J, Bourenkov, G.P.
Deposit date:2022-01-18
Release date:2023-02-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors
J.Biol.Chem., 299, 2023
7OQD
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BU of 7oqd by Molmil
A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1636-S1_20)
Descriptor: 3-O-sulfo-beta-D-galactopyranose, Arylsulfatase, CALCIUM ION
Authors:Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A.
Deposit date:2021-06-03
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
7OJK
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BU of 7ojk by Molmil
Lassa virus L protein bound to the distal promoter duplex [DISTAL-PROMOTER]
Descriptor: 3' RNA, 5' RNA, RNA-directed RNA polymerase L, ...
Authors:Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S.
Deposit date:2021-05-16
Release date:2021-12-01
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
7OJL
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BU of 7ojl by Molmil
Lassa virus L protein in a pre-initiation conformation [PREINITIATION]
Descriptor: 3' RNA, 5' RNA, MANGANESE (II) ION, ...
Authors:Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S.
Deposit date:2021-05-16
Release date:2021-12-01
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
7OJN
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BU of 7ojn by Molmil
Lassa virus L protein in an elongation conformation [ELONGATION]
Descriptor: 3' RNA, 5' RNA, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, ...
Authors:Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S.
Deposit date:2021-05-16
Release date:2021-12-01
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
7OJJ
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BU of 7ojj by Molmil
Lassa virus L protein with endonuclease and C-terminal domains in close proximity [MID-LINK]
Descriptor: MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION
Authors:Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S.
Deposit date:2021-05-16
Release date:2021-12-01
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
7TVH
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BU of 7tvh by Molmil
Hyperlytic variant of Tae1, Type VI secretion amidase effector 1, from Pseudomonas aeruginosa (Cys110Ser)
Descriptor: Peptidoglycan amidase Tse1
Authors:Radkov, A, Saunders, H, Chou, S.
Deposit date:2022-02-04
Release date:2022-07-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Antibacterial potency of type VI amidase effector toxins is dependent on substrate topology and cellular context.
Elife, 11, 2022
4UY9
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BU of 4uy9 by Molmil
Structure of MLK1 kinase domain with leucine zipper 1
Descriptor: MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 9
Authors:Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M.
Deposit date:2014-08-29
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis.
Cancer Res., 76, 2016
7ZOG
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BU of 7zog by Molmil
Crystal structure of Cryptosporidium parvum -Plasmodium falciparum mutant lysyl tRNA synthetase in complex with inhibitor
Descriptor: 8-[[4-[2-[2-[2-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]sulfonylamino]-~{N}-(cyclohexylmethyl)-6-fluoranyl-4-oxidanylidene-chromene-2-carboxamide, GLYCEROL, LYSINE, ...
Authors:Dawson, A, Wyllie, S.
Deposit date:2022-04-25
Release date:2022-09-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Toolkit of Approaches To Support Target-Focused Drug Discovery for Plasmodium falciparum Lysyl tRNA Synthetase.
Acs Infect Dis., 8, 2022
4UYA
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BU of 4uya by Molmil
Structure of MLK4 kinase domain with ATPgammaS
Descriptor: MAGNESIUM ION, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE MLK4, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M.
Deposit date:2014-08-29
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis.
Cancer Res., 76, 2016
6Z5L
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BU of 6z5l by Molmil
Helical reconstruction of influenza A virus M1 in complex with nucleic acid.
Descriptor: Matrix protein 1
Authors:Xiong, X, Qu, K, Briggs, J.A.G.
Deposit date:2020-05-26
Release date:2020-10-14
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:The native structure of the assembled matrix protein 1 of influenza A virus.
Nature, 587, 2020
8J5X
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BU of 8j5x by Molmil
The crystal structure of TrkA(G595R) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Descriptor: High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2023-04-24
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.09192252 Å)
Cite:Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J5W
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BU of 8j5w by Molmil
The crystal structure of TrkA(F589L) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Descriptor: High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2023-04-24
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.28041458 Å)
Cite:Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J61
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BU of 8j61 by Molmil
The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Descriptor: 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2023-04-24
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.05065274 Å)
Cite:Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J63
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BU of 8j63 by Molmil
The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Descriptor: 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2023-04-24
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.0005 Å)
Cite:Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
7QYH
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BU of 7qyh by Molmil
Structure of plasmepsin II in complex with 2-aminoquinazolin-4(3H)-one based open-flap inhibitor
Descriptor: 2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one, Plasmepsin II
Authors:Bobrovs, R, Jaudzems, K.
Deposit date:2022-01-28
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Exploring Aspartic Protease Inhibitor Binding to Design Selective Antimalarials.
J.Chem.Inf.Model., 62, 2022
4XAR
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BU of 4xar by Molmil
mGluR2 ECD and mGluR3 ECD complex with ligands
Descriptor: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, IODIDE ION, Metabotropic glutamate receptor 3
Authors:Clawson, D.K.
Deposit date:2014-12-15
Release date:2015-02-11
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
4XAS
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BU of 4xas by Molmil
mGluR2 ECD ligand complex
Descriptor: (1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid, Metabotropic glutamate receptor 2
Authors:Clawson, D.K.
Deposit date:2014-12-15
Release date:2015-02-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
4JPI
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BU of 4jpi by Molmil
Crystal structure of a putative VRC01 germline precursor Fab
Descriptor: GLYCEROL, Putative VRC01 germline Fab heavy chain, Putative VRC01 germline Fab light chain
Authors:Julien, J.-P, Diwanji, D.C, Jardine, J, Schief, W.R, Wilson, I.A.
Deposit date:2013-03-19
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rational HIV immunogen design to target specific germline B cell receptors.
Science, 340, 2013
4JPK
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BU of 4jpk by Molmil
Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain eOD-GT6 in complex with a putative VRC01 germline precursor Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6, ...
Authors:Julien, J.-P, Jardine, J, Schief, W.R, Wilson, I.A.
Deposit date:2013-03-19
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Rational HIV immunogen design to target specific germline B cell receptors.
Science, 340, 2013
7BWJ
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BU of 7bwj by Molmil
crystal structure of SARS-CoV-2 antibody with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
Authors:Wang, X, Ge, J.
Deposit date:2020-04-14
Release date:2020-06-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Human neutralizing antibodies elicited by SARS-CoV-2 infection.
Nature, 584, 2020

224201

PDB entries from 2024-08-28

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