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8G3A
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BU of 8g3a by Molmil
BceAB-S nucleotide free TM state 1
Descriptor: Bacitracin export ATP-binding protein BceA, Bacitracin export permease protein BceB, OLEIC ACID, ...
Authors:George, N.L, Orlando, B.J.
Deposit date:2023-02-07
Release date:2023-06-21
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Architecture of a complete Bce-type antimicrobial peptide resistance module.
Nat Commun, 14, 2023
6NSP
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BU of 6nsp by Molmil
TRK-A IN COMPLEX WITH LIGAND 9
Descriptor: High affinity nerve growth factor receptor, N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Authors:Subramanian, G, Brown, D.G.
Deposit date:2019-01-25
Release date:2019-05-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Acs Chem.Biol., 14, 2019
8FK8
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BU of 8fk8 by Molmil
Crystal Structure of the Tick Evasin EVA-AAM1001(L39P) Complexed to Human Chemokine CCL7
Descriptor: C-C motif chemokine 7, Evasin P1243
Authors:Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J.
Deposit date:2022-12-20
Release date:2023-03-29
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023
8FX9
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BU of 8fx9 by Molmil
Crystal strucutre of Mycobacterium tuberculosis Mycothiol-S-transferase enzyme
Descriptor: CHLORIDE ION, Mycothiol-S-transferase
Authors:Lindenberger, J.J, Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2023-01-24
Release date:2023-04-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
8FFS
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BU of 8ffs by Molmil
Erythromycin bound Klebsiella pneumoniae AcrB multidrug efflux pump
Descriptor: ERYTHROMYCIN A, Efflux pump membrane transporter
Authors:Zhang, Z.
Deposit date:2022-12-09
Release date:2023-04-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Cryo-EM Structures of the Klebsiella pneumoniae AcrB Multidrug Efflux Pump.
Mbio, 14, 2023
8FK6
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BU of 8fk6 by Molmil
Crystal Structure of the Tick Evasin EVA-AAM1001(Y44A) Complexed to Human Chemokine CCL7
Descriptor: C-C motif chemokine 7, Evasin P1243
Authors:Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J.
Deposit date:2022-12-20
Release date:2023-03-29
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023
8FJ3
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BU of 8fj3 by Molmil
Crystal Structure of the Tick Evasin EVA-AAM1001 Complexed to Human Chemokine CCL7(Y13A)
Descriptor: C-C motif chemokine 7, Evasin P1243
Authors:Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J.
Deposit date:2022-12-19
Release date:2023-03-29
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023
8FJ2
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BU of 8fj2 by Molmil
Crystal Structure of the Tick Evasin EVA-AAM1001(C8) Complexed to Human Chemokine CCL17
Descriptor: C-C motif chemokine 17, Evasin P1243
Authors:Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J.
Deposit date:2022-12-19
Release date:2023-03-29
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023
6OPU
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BU of 6opu by Molmil
HIV-1 Protease NL4-3 K45I, M46I, V82F, I84V Mutant in complex with darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3
Authors:Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A.
Deposit date:2019-04-25
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
6OPY
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BU of 6opy by Molmil
HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, A71V, L76V, V82F, I84V Mutant in complex with darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3
Authors:Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A.
Deposit date:2019-04-25
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
8GXN
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BU of 8gxn by Molmil
The crystal structure of CsFAOMT2 in complex with SAH
Descriptor: MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, caffeyl-CoA-O-methyltransferase
Authors:Zhang, Z.M, Zhou, Y.E, Huang, H.S.
Deposit date:2022-09-20
Release date:2023-09-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Characterization of two O-methyltransferases involved in the biosynthesis of O-methylated catechins in tea plant.
Nat Commun, 14, 2023
8GCV
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BU of 8gcv by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCT
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BU of 8gct by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 6 ms
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCS
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BU of 8gcs by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 3 ms
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCX
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BU of 8gcx by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 700 ms
Descriptor: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GXO
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BU of 8gxo by Molmil
The crystal structure of CsFAOMT1 in complex with SAH
Descriptor: Caffeoyl-CoA O-methyltransferase, MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Zhang, Z.M, Zhou, Y.E, Huang, H.S.
Deposit date:2022-09-20
Release date:2023-09-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Characterization of two O-methyltransferases involved in the biosynthesis of O-methylated catechins in tea plant.
Nat Commun, 14, 2023
4ODL
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BU of 4odl by Molmil
Structure of SlyD from Thermus thermophilus in complex with S2 peptide
Descriptor: 30S ribosomal protein S2, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase SlyD
Authors:Quistgaard, E.M, Low, C, Nordlund, P.
Deposit date:2014-01-10
Release date:2015-01-14
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.916 Å)
Cite:Molecular insights into substrate recognition and catalytic mechanism of the chaperone and FKBP peptidyl-prolyl isomerase SlyD.
BMC Biol., 14, 2016
8G6B
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BU of 8g6b by Molmil
Crystal structure of PfAMA1-RON2L chimera
Descriptor: Apical membrane antigen 1, rhoptry neck protein 2 chimera, SULFATE ION
Authors:Boulanger, M.J, Ramaswamy, R.
Deposit date:2023-02-14
Release date:2023-09-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure guided mimicry of an essential P. falciparum receptor-ligand complex enhances cross neutralizing antibodies.
Nat Commun, 14, 2023
8G6U
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BU of 8g6u by Molmil
Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations in complex with 8ANC195 and 10-1074
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CRF-1_AE T/F100 HIV-1 gp41, ...
Authors:Chen, Y, Zhou, F, Huang, R, Tolbert, W, Pazgier, M.
Deposit date:2023-02-16
Release date:2023-11-08
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
8G3G
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BU of 8g3g by Molmil
CryoEM structure of yeast recombination mediator Rad52
Descriptor: DNA repair and recombination protein RAD52
Authors:Deveryshetty, J, Basore, K, Rau, M, Fitzpatrick, J.A.J, Antony, E.
Deposit date:2023-02-07
Release date:2023-11-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Yeast Rad52 is a homodecamer and possesses BRCA2-like bipartite Rad51 binding modes.
Nat Commun, 14, 2023
6HZB
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BU of 6hzb by Molmil
X-ray structure of furin in complex with the cyclic inhibitor c[glutaryl-Arg-Arg-Lys]-Lys-4-Amba
Descriptor: ARG-ARG-LYS-LYS-00S, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O.
Deposit date:2018-10-23
Release date:2019-02-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin.
Chemmedchem, 14, 2019
6HZC
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BU of 6hzc by Molmil
X-ray structure of furin in complex with the cyclic inhibitor c[glutaryl-BVK-Lys-Arg-Arg-Tle-Lys]-4-Amba
Descriptor: 2-[4-(aminomethyl)phenyl]ethanoic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O.
Deposit date:2018-10-23
Release date:2019-02-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin.
Chemmedchem, 14, 2019
8GI4
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BU of 8gi4 by Molmil
Crystal structure of human LIMK2 PDZ domain
Descriptor: LIM domain kinase 2
Authors:Casanova Sepulveda, G, Boggon, T.J.
Deposit date:2023-03-13
Release date:2023-12-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Autoregulation of the LIM kinases by their PDZ domain.
Nat Commun, 14, 2023
6OOG
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BU of 6oog by Molmil
Crystal structure of triosephosphate isomerase from Taenia Solium in complex with 2PG
Descriptor: 2-PHOSPHOGLYCOLIC ACID, SODIUM ION, Triosephosphate isomerase
Authors:Jimenez-Sandoval, P, Brieba, L.
Deposit date:2019-04-23
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structures of Triosephosphate Isomerases from Taenia solium and Schistosoma mansoni provide insights for vaccine rationale and drug design against helminth parasites.
Plos Negl Trop Dis, 14, 2020
8GJ4
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BU of 8gj4 by Molmil
A1 Tei: Adenylation domain 1 core construct from teicoplanin biosynthesis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, MbtH-like short polypeptide, ...
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-03-14
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023

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数据于2024-08-07公开中

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