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10AD
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BU of 10ad by Molmil
Cryo-EM structure of the human BK channel bound to the agonist NS1619
Descriptor: 3-[2-oxidanyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1~{H}-benzimidazol-2-one, CALCIUM ION, Isoform 5 of Calcium-activated potassium channel subunit alpha-1, ...
Authors:Gonzalez-Sanabria, N, Contreras, G.F, Perozo, E, Latorre, R.
Deposit date:2026-01-08
Release date:2026-02-04
Last modified:2026-10-07
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:The BK channel-NS1619 agonist complex reveals molecular insights into allosteric activation gating.
Proc.Natl.Acad.Sci.USA, 123, 2026
11OS
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BU of 11os by Molmil
Crystal Structure of Honey Truffle Active Component 1 through 4 (Orthorhombic P form)
Descriptor: CHLORIDE ION, HEXAETHYLENE GLYCOL, Honey Truffle Active Component 1 through 4
Authors:Lovell, S, Cooper, A, Connors, D.E, Pitkanen, T.T, McFarland, C.T, Vo, P, Patnaik, R.
Deposit date:2026-03-06
Release date:2026-09-23
Last modified:2026-10-07
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Crystal structures of the sweet-tasting protein honey truffle active component from Mattirolomyces terfezioides
Acta Crystallogr.,Sect.F, 82, 2026
11OT
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BU of 11ot by Molmil
Crystal Structure of Honey Truffle Active Component 1 through 4 with HEPES bound (Orthorhombic P form)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, Honey Truffle Active Component 1 through 4, ...
Authors:Lovell, S, Cooper, A, Connors, D.E, Pitkanen, T.T, McFarland, C.T, Vo, P, Patnaik, R.
Deposit date:2026-03-06
Release date:2026-09-23
Last modified:2026-10-07
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structures of the sweet-tasting protein honey truffle active component from Mattirolomyces terfezioides
Acta Crystallogr.,Sect.F, 82, 2026
11OW
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BU of 11ow by Molmil
Crystal Structure of Honey Truffle Active Component 1 through 4 with 1,4-butanediol bound (Orthorhombic P form)
Descriptor: 1,4-BUTANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CHLORIDE ION, ...
Authors:Lovell, S, Cooper, A, Connors, D.E, Pitkanen, T.T, McFarland, C.T, Vo, P, Patnaik, R.
Deposit date:2026-03-06
Release date:2026-09-23
Last modified:2026-10-07
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Crystal structures of the sweet-tasting protein honey truffle active component from Mattirolomyces terfezioides
Acta Crystallogr.,Sect.F, 82, 2026
11OX
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BU of 11ox by Molmil
Crystal Structure of Honey Truffle Active Component 1 through 4 with glucose bound (Monoclinic P form)
Descriptor: CHLORIDE ION, Honey Truffle Active Component 1 through 4, beta-D-glucopyranose
Authors:Lovell, S, Cooper, A, Connors, D.E, Pitkanen, T.T, McFarland, C.T, Vo, P, Patnaik, R.
Deposit date:2026-03-06
Release date:2026-09-23
Last modified:2026-10-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of the sweet-tasting protein honey truffle active component from Mattirolomyces terfezioides
Acta Crystallogr.,Sect.F, 82, 2026
11RO
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BU of 11ro by Molmil
Crystal Structure of SARS-CoV-2 Mpro with UM-005
Descriptor: 3C-like proteinase nsp5, N-(trifluoroacetyl)-D-phenylalanyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
Authors:Shaqra, A.M, Adnan, S.F.Z, Lee, L.T, Iyer, V, Jung, K, Intravaia, L.E, Kaur, J, Schiffer, C.A.
Deposit date:2026-03-10
Release date:2026-04-22
Last modified:2026-10-07
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Nitrile-Based Inhibitors Targeting both SARS-CoV‐2 Main Protease and Human Cathepsin L.
Acs Med.Chem.Lett., 17, 2026
11XB
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BU of 11xb by Molmil
Cryo-EM of Hxc endopilus
Descriptor: CALCIUM ION, Type II secretion system core protein G
Authors:Sonani, R.R, Ball, G, Chouikha, I, Durand, E, Voulhoux, R, Egelman, E.H.
Deposit date:2026-03-17
Release date:2026-09-23
Last modified:2026-10-07
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of the Xcp and Hxc T2SS endopili provide new insights into type IV pili subfamilies.
Structure, 34, 2026
11XC
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BU of 11xc by Molmil
Cryo-EM of Xcp endopilus
Descriptor: CALCIUM ION, Type II secretion system core protein G
Authors:Sonani, R.R, Ball, G, Chouikha, I, Durand, E, Voulhoux, R, Egelman, E.H.
Deposit date:2026-03-17
Release date:2026-09-23
Last modified:2026-10-07
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structures of the Xcp and Hxc T2SS endopili provide new insights into type IV pili subfamilies.
Structure, 34, 2026
12AF
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BU of 12af by Molmil
Crystal Structure of SARS-CoV-2 Mpro with UM-067
Descriptor: 3C-like proteinase nsp5, GLYCEROL, N-(trifluoroacetyl)-D-phenylalanyl-3-cyclopropyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide, ...
Authors:Shaqra, A.M, Adnan, S.F.Z, Lee, L.T, Iyer, V, Jung, K, Intravaia, L.E, Kaur, J, Schiffer, C.A.
Deposit date:2026-03-22
Release date:2026-04-22
Last modified:2026-10-07
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Nitrile-Based Inhibitors Targeting both SARS-CoV‐2 Main Protease and Human Cathepsin L.
Acs Med.Chem.Lett., 17, 2026
12QH
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BU of 12qh by Molmil
Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KK-1
Descriptor: 3C-like proteinase nsp5, 5-fluoro-6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione, SODIUM ION
Authors:Bhandari, D, Kovalevsky, A.
Deposit date:2026-04-15
Release date:2026-09-09
Last modified:2026-10-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Noncovalent SARS-CoV-2 main protease inhibitors targeting the catalytic dyad and primed substrate binding subsites.
Rsc Med Chem, 17, 2026
12SV
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BU of 12sv by Molmil
Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KK-2
Descriptor: 3C-like proteinase nsp5, 5-chloro-6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione, SODIUM ION
Authors:Bhandari, D, Kovalevsky, A.
Deposit date:2026-04-17
Release date:2026-09-09
Last modified:2026-10-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Noncovalent SARS-CoV-2 main protease inhibitors targeting the catalytic dyad and primed substrate binding subsites.
Rsc Med Chem, 17, 2026
12TA
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BU of 12ta by Molmil
Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KK-3
Descriptor: 3C-like proteinase nsp5, 5-methyl-6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione, SODIUM ION
Authors:Bhandari, D, Kovalevsky, A.
Deposit date:2026-04-17
Release date:2026-09-09
Last modified:2026-10-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Noncovalent SARS-CoV-2 main protease inhibitors targeting the catalytic dyad and primed substrate binding subsites.
Rsc Med Chem, 17, 2026
12WC
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BU of 12wc by Molmil
Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KK-7
Descriptor: 3C-like proteinase nsp5, 5-fluoro-6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione, SODIUM ION
Authors:Bhandari, D, Kovalevsky, A.
Deposit date:2026-04-20
Release date:2026-09-09
Last modified:2026-10-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Noncovalent SARS-CoV-2 main protease inhibitors targeting the catalytic dyad and primed substrate binding subsites.
Rsc Med Chem, 17, 2026
12XD
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BU of 12xd by Molmil
Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KB-1
Descriptor: 3C-like proteinase nsp5, N-{4,5-dichloro-2-[4-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]phenyl}-4-methylbenzene-1-sulfonamide
Authors:Bhandari, D, Kovalevsky, A.
Deposit date:2026-04-21
Release date:2026-09-09
Last modified:2026-10-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Noncovalent SARS-CoV-2 main protease inhibitors targeting the catalytic dyad and primed substrate binding subsites.
Rsc Med Chem, 17, 2026
12YF
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BU of 12yf by Molmil
Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KB-2
Descriptor: 3C-like proteinase nsp5, N-{4,5-dichloro-2-[4-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]phenyl}cyclopropanesulfonamide, SODIUM ION
Authors:Bhandari, D, Kovalevsky, A.
Deposit date:2026-04-22
Release date:2026-09-09
Last modified:2026-10-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Noncovalent SARS-CoV-2 main protease inhibitors targeting the catalytic dyad and primed substrate binding subsites.
Rsc Med Chem, 17, 2026
12ZG
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BU of 12zg by Molmil
Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KB-3
Descriptor: 3C-like proteinase nsp5, N-{4,5-dichloro-2-[4-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]phenyl}cyclopropanecarboxamide, SODIUM ION
Authors:Bhandari, D, Kovalevsky, A.
Deposit date:2026-04-24
Release date:2026-09-09
Last modified:2026-10-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Noncovalent SARS-CoV-2 main protease inhibitors targeting the catalytic dyad and primed substrate binding subsites.
Rsc Med Chem, 17, 2026
12ZL
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BU of 12zl by Molmil
Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KB-4
Descriptor: 3C-like proteinase nsp5, N-{4,5-dichloro-2-[4-(5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]phenyl}cyclopropanecarboxamide, SODIUM ION
Authors:Bhandari, D, Kovalevsky, A.
Deposit date:2026-04-24
Release date:2026-09-09
Last modified:2026-10-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Noncovalent SARS-CoV-2 main protease inhibitors targeting the catalytic dyad and primed substrate binding subsites.
Rsc Med Chem, 17, 2026
13BW
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BU of 13bw by Molmil
Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KB-6
Descriptor: 3C-like proteinase nsp5, N-{4,5-dichloro-2-[4-(5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]phenyl}cyclopentanecarboxamide, SODIUM ION
Authors:Bhandari, D, Kovalevsky, A.
Deposit date:2026-04-28
Release date:2026-09-09
Last modified:2026-10-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Noncovalent SARS-CoV-2 main protease inhibitors targeting the catalytic dyad and primed substrate binding subsites.
Rsc Med Chem, 17, 2026
13CH
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BU of 13ch by Molmil
RT XFEL structure of one-flash state of Photosystem II (1F, S2 rich) at 2.02 Angstrom
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Bhowmick, A, Kern, J, Yano, J, Yachandra, V.K, Bogacz, I, Chatterjee, R, Zhang, M.
Deposit date:2026-04-28
Release date:2026-09-23
Last modified:2026-10-07
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Investigation of the high-spin S 2 states in photosystem II using Mn X-ray absorption spectroscopy with insights from XFEL crystallography.
Biochim Biophys Acta Bioenerg, 1868, 2026
13CL
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BU of 13cl by Molmil
Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KB-0-1
Descriptor: 3C-like proteinase nsp5, 6-[4-(4,5-dichloro-2-nitrophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
Authors:Bhandari, D, Kovalevsky, A.
Deposit date:2026-04-29
Release date:2026-09-09
Last modified:2026-10-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Noncovalent SARS-CoV-2 main protease inhibitors targeting the catalytic dyad and primed substrate binding subsites.
Rsc Med Chem, 17, 2026
13CO
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BU of 13co by Molmil
Cryo-EM structure of an intact human acetylcholinesterase (T-form) tetramer in complex with ColQ
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
Authors:Cheung, J, Karasawa, A.
Deposit date:2026-04-29
Release date:2026-09-16
Last modified:2026-10-07
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Structures of distinct human acetylcholinesterase tetramer forms in complex with synaptic anchoring proteins.
Structure, 2026
13CP
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BU of 13cp by Molmil
Cryo-EM structure of an intact human acetylcholinesterase (T-form) tetramer in complex with PRiMA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
Authors:Cheung, J, Karasawa, A.
Deposit date:2026-04-29
Release date:2026-09-16
Last modified:2026-10-07
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structures of distinct human acetylcholinesterase tetramer forms in complex with synaptic anchoring proteins.
Structure, 2026
13FA
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BU of 13fa by Molmil
Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KB-0-2
Descriptor: 3C-like proteinase nsp5, 6-[4-(2-amino-4,5-dichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione, SODIUM ION
Authors:Bhandari, D, Kovalevsky, A.
Deposit date:2026-05-04
Release date:2026-09-09
Last modified:2026-10-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Noncovalent SARS-CoV-2 main protease inhibitors targeting the catalytic dyad and primed substrate binding subsites.
Rsc Med Chem, 17, 2026
13HO
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BU of 13ho by Molmil
Joint X-ray/neutron structure of deuterated SARS-CoV-2 main protease (MPro) in complex with noncovalent inhibitor KB-5
Descriptor: 3C-like proteinase nsp5, N-{4,5-dichloro-2-[4-(5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]phenyl}cyclopropanecarboxamide, SODIUM ION
Authors:Bhandari, D, Kovalevsky, A.
Deposit date:2026-05-06
Release date:2026-09-09
Last modified:2026-10-07
Method:NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION
Cite:Noncovalent SARS-CoV-2 main protease inhibitors targeting the catalytic dyad and primed substrate binding subsites.
Rsc Med Chem, 17, 2026
1MCZ
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BU of 1mcz by Molmil
BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA COMPLEXED WITH AN INHIBITOR, R-MANDELATE
Descriptor: (R)-MANDELIC ACID, BENZOYLFORMATE DECARBOXYLASE, MAGNESIUM ION, ...
Authors:Polovnikova, E.S, Bera, A.K, Hasson, M.S.
Deposit date:2002-08-06
Release date:2003-02-25
Last modified:2026-10-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and kinetic analysis of catalysis by a thiamin diphosphate-dependent enzyme, benzoylformate decarboxylase.
Biochemistry, 42, 2003

260626

PDB entries from 2026-10-07

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