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8D1F
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BU of 8d1f by Molmil
hBest2 5mM Ca2+ (Ca2+-bound) closed state
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ...
Authors:Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y.
Deposit date:2022-05-27
Release date:2022-07-13
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (1.82 Å)
Cite:Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
8D1E
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BU of 8d1e by Molmil
hBest2 1uM Ca2+ (Ca2+-bound) closed state
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ...
Authors:Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y.
Deposit date:2022-05-27
Release date:2022-07-13
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (1.78 Å)
Cite:Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
8D1L
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BU of 8d1l by Molmil
hBest1 Ca2+-bound partially open aperture state
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION, ...
Authors:Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y.
Deposit date:2022-05-27
Release date:2022-07-13
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (2.12 Å)
Cite:Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
8D1M
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BU of 8d1m by Molmil
hBest1 Ca2+-unbound closed state
Descriptor: Bestrophin-1
Authors:Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y.
Deposit date:2022-05-27
Release date:2022-07-13
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
8D1J
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BU of 8d1j by Molmil
hBest1 5mM Ca2+ (Ca2+-bound) closed state
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION
Authors:Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y.
Deposit date:2022-05-27
Release date:2022-07-13
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (2.05 Å)
Cite:Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
8D1H
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BU of 8d1h by Molmil
hBest2 Ca2+-unbound closed state
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ...
Authors:Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y.
Deposit date:2022-05-27
Release date:2022-07-13
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (1.94 Å)
Cite:Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
6IRA
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BU of 6ira by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 7.8
Descriptor: Glutamate receptor ionotropic, NMDA 1, NMDA 2A
Authors:Zhang, J, Chang, S, Zhang, X, Zhu, S.
Deposit date:2018-11-12
Release date:2019-01-16
Last modified:2019-06-05
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
7LHZ
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BU of 7lhz by Molmil
K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid (compound 25)
Descriptor: (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*AP*TP*CP*AP*TP*AP*CP*AP*AP*CP*GP*TP*AP*A)-3'), ...
Authors:Noeske, J, Shu, W, Bellamacina, C.
Deposit date:2021-01-26
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Discovery and Optimization of DNA Gyrase and Topoisomerase IV Inhibitors with Potent Activity against Fluoroquinolone-Resistant Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
5MEV
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BU of 5mev by Molmil
MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 21
Descriptor: (5~{R},13~{S},17~{S})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone, Fab Heavy Chain, Fab Light Chain, ...
Authors:Hargreaves, D.
Deposit date:2016-11-16
Release date:2017-01-18
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors
Acs Med.Chem.Lett., 8, 2017
6IRG
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BU of 6irg by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 6.3, Class II
Descriptor: Glutamate receptor ionotropic, NMDA 1, NMDA 2A
Authors:Zhang, J, Chang, S, Zhang, X, Zhu, S.
Deposit date:2018-11-12
Release date:2019-01-16
Last modified:2019-06-05
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
1RHM
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BU of 1rhm by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A NICOTINIC ACID ALDEHYDE INHIBITOR
Descriptor: 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID, CASP-3
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-14
Release date:2004-05-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1RHK
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BU of 1rhk by Molmil
Crystal structure of the complex of caspase-3 with a phenyl-propyl-ketone inhibitor
Descriptor: Caspase-3, acetyl-asp-glu-val-fpr
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-14
Release date:2004-05-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1RHR
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BU of 1rhr by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A CINNAMIC ACID METHYL ESTER INHIBITOR
Descriptor: (3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID, Caspase-3
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-14
Release date:2004-05-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1RHJ
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BU of 1rhj by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A PRYAZINONE INHIBITOR
Descriptor: 3-(2-{5-TERT-BUTYL-3-[(4-METHYL-FURAZAN-3-YLMETHYL)-AMINO]-2-OXO-2H-PYRAZIN-1-YL}-BUTYRYLAMINO)-5-(HEXYL-METHYL-AMINO)-4-OXO-PENTANOIC ACID ANION, Caspase-3
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-14
Release date:2004-05-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1OQF
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BU of 1oqf by Molmil
Crystal structure of the 2-methylisocitrate lyase
Descriptor: 2-methylisocitrate lyase
Authors:Liu, S, Lu, Z, Dunaway-Mariano, D, Herzberg, O, Structure 2 Function Project (S2F)
Deposit date:2003-03-08
Release date:2004-04-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structures of 2-methylisocitrate lyase in complex with product and with isocitrate inhibitor provide insight into lyase substrate specificity, catalysis and evolution.
Biochemistry, 44, 2005
2HJP
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BU of 2hjp by Molmil
Crystal Structure of Phosphonopyruvate Hydrolase Complex with Phosphonopyruvate and Mg++
Descriptor: CHLORIDE ION, MAGNESIUM ION, PHOSPHONOPYRUVATE, ...
Authors:Chen, C.C.H, Herzberg, O.
Deposit date:2006-06-30
Release date:2006-10-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Kinetics of Phosphonopyruvate Hydrolase from Voriovorax sp. Pal2: New Insight into the Divergence of Catalysis within the PEP Mutase/Isocitrate Lyase Superfamily
Biochemistry, 45, 2006
2DUA
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BU of 2dua by Molmil
Crystal Structure of Phosphonopyruvate Hydrolase Complex with Oxalate and Mg++
Descriptor: CHLORIDE ION, MAGNESIUM ION, OXALATE ION, ...
Authors:Herzberg, O, Chen, C.
Deposit date:2006-07-21
Release date:2006-10-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Kinetics of Phosphonopyruvate Hydrolase from Voriovorax sp. Pal2: New Insight into the Divergence of Catalysis within the PEP Mutase/Isocitrate Lyase Superfamily
Biochemistry, 45, 2006
2HRW
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BU of 2hrw by Molmil
Crystal Structure of Phosphonopyruvate Hydrolase
Descriptor: CHLORIDE ION, Phosphonopyruvate hydrolase, SODIUM ION
Authors:Chen, C.C.H, Herzberg, O.
Deposit date:2006-07-20
Release date:2006-10-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Kinetics of Phosphonopyruvate Hydrolase from Voriovorax sp. Pal2: New Insight into the Divergence of Catalysis within the PEP Mutase/Isocitrate Lyase Superfamily
Biochemistry, 45, 2006
7LRT
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BU of 7lrt by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with neutralizing antibody A23-58.1 that targets the receptor-binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SARS-CoV-2 spike glycoprotein, ...
Authors:Zhou, T, Tsybovsky, T.
Deposit date:2021-02-17
Release date:2021-07-14
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Ultrapotent antibodies against diverse and highly transmissible SARS-CoV-2 variants.
Science, 373, 2021
7LRS
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BU of 7lrs by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with neutralizing antibody A23-58.1 that targets the receptor-binding domain
Descriptor: Spike glycoprotein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, antibody A23-58.1 heavy chain, ...
Authors:Zhou, T, Tsybovsky, Y.
Deposit date:2021-02-17
Release date:2021-07-14
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Ultrapotent antibodies against diverse and highly transmissible SARS-CoV-2 variants.
Science, 373, 2021
7P0Z
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BU of 7p0z by Molmil
2.43 A Mycobacterium marinum EspB.
Descriptor: ESX-1 secretion-associated protein EspB
Authors:Gijsbers, A, Zhang, Y, Vinciauskaite, V, Siroy, A, Ye, G, Tria, G, Mathew, A, Sanchez-Puig, N, Lopez-Iglesias, C, Peters, P.J, Ravelli, R.B.G.
Deposit date:2021-07-01
Release date:2021-08-18
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (2.43 Å)
Cite:Priming mycobacterial ESX-secreted protein B to form a channel-like structure.
Curr Res Struct Biol, 3, 2021
8BNS
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BU of 8bns by Molmil
Crystal structure of Pif1 from Sulfurihydrogenibium sp in complex with ADP
Descriptor: AAA ATPase, ADENOSINE-5'-DIPHOSPHATE
Authors:Rety, S, Chen, W.F, Xi, X.G.
Deposit date:2022-11-14
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Structural Studies of Pif1 Helicases from Thermophilic Bacteria.
Microorganisms, 11, 2023
8K46
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BU of 8k46 by Molmil
A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H.
Deposit date:2023-07-17
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
8K45
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BU of 8k45 by Molmil
A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nb4 nanobody, ...
Authors:Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H.
Deposit date:2023-07-17
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
7MM0
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BU of 7mm0 by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with neutralizing antibody B1-182.1 that targets the receptor-binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, B1-182.1 Fab heavy chain, ...
Authors:Zhou, T, Tsybovsky, T, Kwong, P.D.
Deposit date:2021-04-29
Release date:2021-07-28
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Ultrapotent antibodies against diverse and highly transmissible SARS-CoV-2 variants.
Science, 373, 2021

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