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10LP
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BU of 10lp by Molmil
Crystal structure of mouse CD38 with compound 9
Descriptor: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[13-(1-cyclopropylsulfonylpyrazol-4-yl)-9-oxa-4$l^{4},6,12,14-tetrazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),2,4,10,12-pentaen-4-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Brosey, C.A, Bigelow, L, Chapman, A, Afanador, G, Hodges, T.R.
Deposit date:2026-01-27
Release date:2026-10-07
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Design and Exploration of a Tricyclic Series of CNS-Penetrant CD38 Small Molecule Inhibitors
Acs Med.Chem.Lett., 2026
10OT
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BU of 10ot by Molmil
Crystal structure of mouse CD38 in complex with compound 6
Descriptor: ACETATE ION, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[3-[4-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-2-yl]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Jain, R, Bigelow, L.
Deposit date:2026-01-29
Release date:2026-10-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Design and Exploration of a Tricyclic Series of CNS-Penetrant CD38 Small Molecule Inhibitors
Acs Med.Chem.Lett., 2026
10OY
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BU of 10oy by Molmil
TASK-2 at pH 6.5
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Apolipoprotein A-I, POTASSIUM ION, ...
Authors:Docter, T, Li, B, Brohawn, S.G.
Deposit date:2026-01-30
Release date:2026-10-07
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:A shared site for lipid and anesthetic block of the two-pore domain K+ channel TASK-2
To Be Published
10PB
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BU of 10pb by Molmil
TASK-2 L127N at pH 6.5
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Apolipoprotein A-I, POTASSIUM ION, ...
Authors:Docter, T, Li, B, Brohawn, S.G.
Deposit date:2026-01-30
Release date:2026-10-07
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:A shared site for lipid and anesthetic block of the two-pore domain K+ channel TASK-2
To Be Published
10PC
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BU of 10pc by Molmil
TASK-2 at pH 6.5 with 100 uM Bupivacaine
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Apolipoprotein A-I, POTASSIUM ION, ...
Authors:Docter, T, Li, B, Brohawn, S.G.
Deposit date:2026-01-30
Release date:2026-10-07
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:A shared site for lipid and anesthetic block of the two-pore domain K+ channel TASK-2
To Be Published
10PD
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BU of 10pd by Molmil
TASK-2 K245A at pH 6.5
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, POTASSIUM ION, Potassium channel TASK2
Authors:Docter, T, Rietmeijer, R, Cook, A.S.I, Brohawn, S.G.
Deposit date:2026-01-30
Release date:2026-10-07
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:A shared site for lipid and anesthetic block of the two-pore domain K+ channel TASK-2
To Be Published
10PF
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BU of 10pf by Molmil
TASK-2 at pH 8.5 with 100 uM Bupivacaine
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Apolipoprotein A-I, Bupivacaine, ...
Authors:Docter, T, Li, B, Brohawn, S.G.
Deposit date:2026-01-30
Release date:2026-10-07
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:A shared site for lipid and anesthetic block of the two-pore domain K+ channel TASK-2
To Be Published
10ZP
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BU of 10zp by Molmil
Cryo-EM structure of TccCas13a-crRNA-target RNA ternary complex
Descriptor: CRISPR-associated endoribonuclease Cas13a, RNA (95-MER)
Authors:Oladeji, S.J, Gao, Y.
Deposit date:2026-02-13
Release date:2026-10-07
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structural basis and rational engineering of a thermophilic Cas13a for robust RNA detection.
Cell Chem Biol, 34, 2026
11ES
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BU of 11es by Molmil
Structure of GDP-bound KRAS-G12C/H95Q, a Switch-II Pocket Inhibitor Resistance Mutant
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION
Authors:Whitley, M.J, Simanshu, D.K.
Deposit date:2026-02-19
Release date:2026-10-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural mechanisms underlying resistance to Switch-II pocket inhibitors in KRAS
Nat Commun, 2026
11FB
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BU of 11fb by Molmil
Structure of GDP-bound KRAS-G12C/Y96C, a Switch-II Pocket Inhibitor Resistance Mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Whitley, M.J, Simanshu, D.K.
Deposit date:2026-02-20
Release date:2026-10-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural mechanisms underlying resistance to Switch-II pocket inhibitors in KRAS
Nat Commun, 2026
11FL
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BU of 11fl by Molmil
Structure of GDP-bound KRAS-G12C/Y96D, a Switch-II Pocket Inhibitor Resistance Mutant
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE
Authors:Whitley, M.J, Simanshu, D.K.
Deposit date:2026-02-20
Release date:2026-10-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural mechanisms underlying resistance to Switch-II pocket inhibitors in KRAS
Nat Commun, 2026
11FT
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BU of 11ft by Molmil
Structure of GDP-bound KRAS-G12C/Q99L, a Switch-II Pocket Inhibitor Resistance Mutant
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Whitley, M.J, Simanshu, D.K.
Deposit date:2026-02-21
Release date:2026-10-07
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Structural mechanisms underlying resistance to Switch-II pocket inhibitors in KRAS
Nat Commun, 2026
11FU
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BU of 11fu by Molmil
Structure of GDP-bound KRAS-G12C/R68S, a Switch-II Pocket Inhibitor Resistance Mutant
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Whitley, M.J, Simanshu, D.K.
Deposit date:2026-02-21
Release date:2026-10-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural mechanisms underlying resistance to Switch-II pocket inhibitors in KRAS
Nat Commun, 2026
11GH
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BU of 11gh by Molmil
Structure of GMPPNP-bound KRAS-G12C/Y96D, a Switch-II Pocket Inhibitor Resistance Mutant, in Complex with the RAF1 RBD-CRD
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Whitley, M.J, Simanshu, D.K.
Deposit date:2026-02-22
Release date:2026-10-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural mechanisms underlying resistance to Switch-II pocket inhibitors in KRAS
Nat Commun, 2026
11HT
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BU of 11ht by Molmil
Cryo-EM structure of the human ZNFX1 tetramer
Descriptor: NFX1-type zinc finger-containing protein 1, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Wang, F, He, Q, Li, H.
Deposit date:2026-02-25
Release date:2026-10-07
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Cryo-EM structures of autoinhibited and RNA-activated ZNFX1 helicase
Nat Commun, 2026
11IM
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BU of 11im by Molmil
Focused Cryo-EM map of a half-region of the human ZNFX1 tetramer
Descriptor: NFX1-type zinc finger-containing protein 1, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Wang, F, He, Q, Li, H.
Deposit date:2026-02-25
Release date:2026-10-07
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Cryo-EM structures of autoinhibited and RNA-activated ZNFX1 helicase
Nat Commun, 2026
11RI
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BU of 11ri by Molmil
D189A thrombin inhibited with D-Phe-Pro-Gln-Chloromethylketone
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-amino-1-chloro-2-hydroxy-6-oxohexan-3-yl]-L-prolinamide, SODIUM ION, ...
Authors:Friet, T, Mohammed, B.M, Sukumar, N, Di Cera, E.
Deposit date:2026-03-10
Release date:2026-10-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural analysis of the primary specificity of thrombin.
J.Thromb.Haemost., 2026
11RJ
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BU of 11rj by Molmil
D189A thrombin inhibited with D-Phe-Pro-Arg-Chloromethylketone
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, Thrombin heavy chain, ...
Authors:Friet, T, Mohammed, B.M, Sukumar, N, Di Cera, E.
Deposit date:2026-03-10
Release date:2026-10-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural analysis of the primary specificity of thrombin.
J.Thromb.Haemost., 2026
11RK
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BU of 11rk by Molmil
D189A thrombin inhibited with D-Phe-Pro-Phe-Chloromethylketone
Descriptor: D-phenylalanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide, SODIUM ION, Thrombin heavy chain, ...
Authors:Friet, T, Mohammed, B.M, Sukumar, N, Di Cera, E.
Deposit date:2026-03-10
Release date:2026-10-07
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural analysis of the primary specificity of thrombin.
J.Thromb.Haemost., 2026
11SS
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BU of 11ss by Molmil
Cryo-EM structure of DNA polymerase Zeta with RNA:DNA hybrid and incoming dNTP
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*AP*TP*TP*AP*CP*GP*AP*AP*TP*TP*GP*C)-3'), ...
Authors:Malik, R, Aggarwal, A.K.
Deposit date:2026-03-11
Release date:2026-10-07
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Molecular basis of DNA polymerase zeta's reverse transcriptase activity
Nat Commun, 2026
11UY
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BU of 11uy by Molmil
Cryo-EM structure of dimeric Nitrogenase MoFe protein from Methanosarcina acetivorans
Descriptor: FE(8)-S(7) CLUSTER, Nitrogenase molybdenum-iron protein beta chain, Nitrogenase protein alpha chain
Authors:Kashyap, R, Antony, E.
Deposit date:2026-03-13
Release date:2026-10-07
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of a methanogen nitrogenase-PII protein supercomplex
Nature, 2026
11VG
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BU of 11vg by Molmil
D189F thrombin inhibited with D-Phe-Pro-Gln-Chloromethylketone
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-amino-1-chloro-2-hydroxy-6-oxohexan-3-yl]-L-prolinamide, Thrombin heavy chain, ...
Authors:Friet, T, Mohammed, B.M, Sukumar, N, Di Cera, E.
Deposit date:2026-03-13
Release date:2026-10-07
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural analysis of the primary specificity of thrombin.
J.Thromb.Haemost., 2026
11VJ
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BU of 11vj by Molmil
Effector BcTde1 in complex with BcTdi1 mutant P151G
Descriptor: Tde1, Tdi1
Authors:Bosch, D.E.
Deposit date:2026-03-13
Release date:2026-10-07
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Secreted nuclease effector neutralization by active site mimicry in Bacillota.
Mbio, 17, 2026
11XW
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BU of 11xw by Molmil
D189F thrombin inhibited with D-Phe-Pro-Arg-Chloromethylketone
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
Authors:Friet, T, Mohammed, B.M, Sukumar, N, Di Cera, E.
Deposit date:2026-03-17
Release date:2026-10-07
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural analysis of the primary specificity of thrombin.
J.Thromb.Haemost., 2026
11YH
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BU of 11yh by Molmil
D189F thrombin inhibited with D-Phe-Pro-Phe-Chloromethylketone
Descriptor: D-phenylalanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide, Thrombin heavy chain, Thrombin light chain
Authors:Friet, T, Mohammed, B.M, Korolev, S, Di Cera, E.
Deposit date:2026-03-18
Release date:2026-10-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of the primary specificity of thrombin.
J.Thromb.Haemost., 2026

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PDB entries from 2026-10-07

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