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8PQL
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BU of 8pql by Molmil
K48-linked ubiquitin chain formation with a cullin-RING E3 ligase and Cdc34: NEDD8-CUL2-RBX1-ELOB/C-FEM1C with trapped UBE2R2-donor UB-acceptor UB-SIL1 peptide
Descriptor: 5-azanylpentan-2-one, Cullin-2, E3 ubiquitin-protein ligase RBX1, ...
Authors:Liwocha, J, Prabu, J.R, Kleiger, G, Schulman, B.A.
Deposit date:2023-07-11
Release date:2024-02-14
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Mechanism of millisecond Lys48-linked poly-ubiquitin chain formation by cullin-RING ligases.
Nat.Struct.Mol.Biol., 31, 2024
6VZP
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BU of 6vzp by Molmil
HBV wild type capsid
Descriptor: Capsid protein
Authors:Zhao, Z, Wang, J, Zlotnick, A.
Deposit date:2020-02-28
Release date:2020-09-30
Last modified:2020-12-30
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The Integrity of the Intradimer Interface of the Hepatitis B Virus Capsid Protein Dimer Regulates Capsid Self-Assembly.
Acs Chem.Biol., 15, 2020
6W0K
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BU of 6w0k by Molmil
HBV D78S mutant capsid
Descriptor: Capsid protein
Authors:Zhao, Z, Wang, J, Zlotnick, A.
Deposit date:2020-03-01
Release date:2020-09-30
Last modified:2020-12-30
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:The Integrity of the Intradimer Interface of the Hepatitis B Virus Capsid Protein Dimer Regulates Capsid Self-Assembly.
Acs Chem.Biol., 15, 2020
4PBU
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BU of 4pbu by Molmil
Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
Authors:Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
Deposit date:2014-04-13
Release date:2014-07-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (5 Å)
Cite:Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
6W7S
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BU of 6w7s by Molmil
Ketoreductase from module 1 of the 6-deoxyerythronolide B synthase (KR1) in complex with antibody fragment (Fab) 2G10
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2G10 (Fab heavy chain), 2G10 (Fab light chain), ...
Authors:Cogan, D.P, Mathews, I.I, Khosla, C.
Deposit date:2020-03-19
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Antibody Probes of Module 1 of the 6-Deoxyerythronolide B Synthase Reveal an Extended Conformation During Ketoreduction.
J.Am.Chem.Soc., 142, 2020
8T4D
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BU of 8t4d by Molmil
MD65 N332-GT5 SOSIP in complex with RM_N332_08 Fab and RM20A3 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2023-06-09
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates.
Science, 384, 2024
8T4A
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BU of 8t4a by Molmil
MD65 N332-GT5 SOSIP in complex with RM_N332_36 Fab and RM20A3 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2023-06-08
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates.
Science, 384, 2024
8T4L
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BU of 8t4l by Molmil
MD65 N332-GT5 SOSIP in complex with RM_N332_07 Fab and RM20A3 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2023-06-09
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates.
Science, 384, 2024
7SXJ
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BU of 7sxj by Molmil
BIO-2895 (BRD0705) bound GSK3beta-axin complex
Descriptor: (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta, axin peptide
Authors:Chodaparambil, J.V.
Deposit date:2021-11-23
Release date:2023-06-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
5LLZ
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BU of 5llz by Molmil
Dehaloperoxidase B from Amphitrite ornata: benzotriazole complex
Descriptor: 1H-benzotriazole, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Chicano, T.M, Dworkowski, F.S.N, Hough, M.A.
Deposit date:2016-07-28
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Dehaloperoxidase B from Amphitrite ornata: benzotriazole complex
to be published
7SXG
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BU of 7sxg by Molmil
BIO-8546 bound GSK3alpha-axin complex
Descriptor: (4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol, Axin peptide, Glycogen synthase kinase-3 alpha
Authors:Chodaparambil, J.V.
Deposit date:2021-11-23
Release date:2023-06-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
7SXF
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BU of 7sxf by Molmil
BIO-2895 (BRD0705) bound GSK3alpha-axin complex
Descriptor: (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Axin peptide, CALCIUM ION, ...
Authors:Chodaparambil, J.V.
Deposit date:2021-11-23
Release date:2023-06-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
7SXH
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BU of 7sxh by Molmil
BIO-8546 bound GSK3beta-axin complex
Descriptor: (4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol, Glycogen synthase kinase-3 beta, axin peptide
Authors:Chodaparambil, J.V.
Deposit date:2021-11-23
Release date:2023-06-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
8AEY
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BU of 8aey by Molmil
3 A CRYO-EM STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS FERRITIN FROM TIMEPIX3 detector
Descriptor: Ferritin BfrB
Authors:Zhang, Y, van Schayck, J.P, Knoops, K, Peters, P.J, Ravelli, R.B.G.
Deposit date:2022-07-14
Release date:2023-01-18
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Integration of an Event-driven Timepix3 Hybrid Pixel Detector into a Cryo-EM Workflow
Microsc Microanal, 2023
8QMK
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BU of 8qmk by Molmil
Enzymatically-produced complex-B bound TmHydE structure
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CARBON MONOXIDE, CHLORIDE ION, ...
Authors:Omeiri, J, Martin, L, Usclat, A, Cherrier, M.V, Nicolet, Y.
Deposit date:2023-09-22
Release date:2023-11-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Maturation of the [FeFe]-Hydrogenase: Direct Transfer of the ( kappa 3 -cysteinate)Fe II (CN)(CO) 2 Complex B from HydG to HydE.
Angew.Chem.Int.Ed.Engl., 62, 2023
8Q7N
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BU of 8q7n by Molmil
cryo-EM structure of the human spliceosomal B complex protomer (tri-snRNP core region)
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, MINX pre-mRNA, Microfibrillar-associated protein 1, ...
Authors:Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Urlaub, H, Stark, H, Luehrmann, R.
Deposit date:2023-08-16
Release date:2024-01-24
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM analyses of dimerized spliceosomes provide new insights into the functions of B complex proteins.
Embo J., 43, 2024
6WD9
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BU of 6wd9 by Molmil
Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Cognate Structure III-B)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Demo, G, Korostelev, A.A.
Deposit date:2020-03-31
Release date:2020-07-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading.
Nature, 584, 2020
6TJ9
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BU of 6tj9 by Molmil
Escherichia coli transketolase in complex with cofactor analog 2'-methoxythiamine and substrate xylulose 5-phosphate
Descriptor: 1,2-ETHANEDIOL, 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 5-O-phosphono-D-xylulose, ...
Authors:Rabe von Pappenheim, F, Tittmann, K.
Deposit date:2019-11-25
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Structural basis for antibiotic action of the B 1 antivitamin 2'-methoxy-thiamine.
Nat.Chem.Biol., 16, 2020
8D55
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BU of 8d55 by Molmil
Closed state of SARS-CoV-2 BA.2 variant spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ...
Authors:Zhang, J, Tang, W.C, Gao, H.L, Shi, W, Peng, H.Q, Volloch, S.R, Xiao, T.S, Chen, B.
Deposit date:2022-06-04
Release date:2023-06-07
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural and functional characteristics of the SARS-CoV-2 Omicron subvariant BA.2 spike protein.
Nat.Struct.Mol.Biol., 30, 2023
5JE4
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BU of 5je4 by Molmil
Crystal structure of Burkholderia glumae ToxA Y7A mutant with bound S-adenosylhomocysteine (SAH)
Descriptor: Methyl transferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Fenwick, M.K, Philmus, B, Begley, T.P, Ealick, S.E.
Deposit date:2016-04-17
Release date:2016-05-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.932 Å)
Cite:Burkholderia glumae ToxA Is a Dual-Specificity Methyltransferase That Catalyzes the Last Two Steps of Toxoflavin Biosynthesis.
Biochemistry, 55, 2016
5JE3
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BU of 5je3 by Molmil
Crystal structure of Burkholderia glumae ToxA Y7A mutant with bound S-adenosylhomocysteine (SAH)
Descriptor: Methyl transferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Fenwick, M.K, Philmus, B, Begley, T.P, Ealick, S.E.
Deposit date:2016-04-17
Release date:2016-05-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Burkholderia glumae ToxA Is a Dual-Specificity Methyltransferase That Catalyzes the Last Two Steps of Toxoflavin Biosynthesis.
Biochemistry, 55, 2016
6TPJ
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BU of 6tpj by Molmil
Crystal structure of the Orexin-2 receptor in complex with suvorexant at 2.76 A resolution
Descriptor: AMMONIUM ION, OLEIC ACID, Orexin receptor type 2,GlgA glycogen synthase,Hypocretin receptor-2, ...
Authors:Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A.
Deposit date:2019-12-13
Release date:2020-01-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
8ABS
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BU of 8abs by Molmil
Crystal structure of CYP109A2 from Bacillus megaterium bound with testosterone and putative ligand 4,6-dimethyloctanoic acid
Descriptor: (4~{S},6~{S})-4,6-dimethyloctanoic acid, Cytochrome P450, HEME B/C, ...
Authors:Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H.
Deposit date:2022-07-04
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling.
Febs J., 290, 2023
8ABR
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BU of 8abr by Molmil
Crystal structure of CYP109A2 from Bacillus megaterium bound with putative ligands hexanoic acid and octanoic acid
Descriptor: Cytochrome P450, HEME B/C, HEXANOIC ACID, ...
Authors:Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H.
Deposit date:2022-07-04
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling.
Febs J., 290, 2023
6GJE
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BU of 6gje by Molmil
Structure of the Amnionless(20-357)-Cubilin(36-135) complex
Descriptor: Cubilin, Protein amnionless
Authors:Larsen, C, Etzerodt, A, Madsen, M, Skjoedt, K, Moestrup, S.K, Andersen, C.B.F.
Deposit date:2018-05-16
Release date:2018-12-19
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural assembly of the megadalton-sized receptor for intestinal vitamin B12uptake and kidney protein reabsorption.
Nat Commun, 9, 2018

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