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9GF0
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BU of 9gf0 by Molmil
Cryo-EM Structure of Pentameric Outer Membrane Protein A from Bdellovibrio bacteriovorus
Descriptor: Major outer membrane protein
Authors:Parr, R.J, Ratkeviciute, G, Lovering, A.L.
Deposit date:2024-08-08
Release date:2025-07-09
Last modified:2025-07-16
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:A porin-like protein used by bacterial predators defines a wider lipid-trapping superfamily.
Nat Commun, 16, 2025
9G45
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BU of 9g45 by Molmil
The structure of Candida albicans phosphoglucose isomerase in complex with a fragment
Descriptor: 2-[(dimethylamino)methyl]pyridin-3-ol, 5-PHOSPHOARABINONIC ACID, CHLORIDE ION, ...
Authors:Yan, K.
Deposit date:2024-07-14
Release date:2025-07-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Exploration of starting points for the chemical validation of UDP-N-acetylglucosamine pyrophosphorylase in Aspergillus fumigatus
To Be Published
1M13
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BU of 1m13 by Molmil
Crystal Structure of the Human Pregane X Receptor Ligand Binding Domain in Complex with Hyperforin, a Constituent of St. John's Wort
Descriptor: 4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE, Orphan Nuclear Receptor PXR
Authors:Watkins, R.E, Maglich, J.M, Moore, L.B, Wisely, G.B, Noble, S.M, Davis-Searles, P.R, Lambert, M.H, Kliewer, S.A, Redinbo, M.R.
Deposit date:2002-06-17
Release date:2003-03-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:2.1 A Crystal Structure of Human PXR in Complex with the St. John's Wort Compound Hyperforin
Biochemistry, 42, 2003
9G47
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BU of 9g47 by Molmil
The structure of Candida albicans phosphoglucose isomerase in complex with a fragment binder
Descriptor: 5-PHOSPHOARABINONIC ACID, Glucose-6-phosphate isomerase, quinoxalin-5-ol
Authors:Yan, K.
Deposit date:2024-07-14
Release date:2025-07-23
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Exploration of starting points for the chemical validation of UDP-N-acetylglucosamine pyrophosphorylase in Aspergillus fumigatus
To Be Published
7S44
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BU of 7s44 by Molmil
Crystal structure of an N-acetyltransferase, C80T mutant, from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-amino-3,6-dideoxy-D-galactose
Descriptor: (3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate, 1,2-ETHANEDIOL, N-acetyltransferase, ...
Authors:Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M.
Deposit date:2021-09-08
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
Protein Sci., 30, 2021
1M1B
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BU of 1m1b by Molmil
Crystal Structure of Phosphoenolpyruvate Mutase Complexed with Sulfopyruvate
Descriptor: MAGNESIUM ION, PHOSPHOENOLPYRUVATE PHOSPHOMUTASE, SULFOPYRUVATE
Authors:Liu, S, Lu, Z, Jia, Y, Dunaway-Mariano, D, Herzberg, O.
Deposit date:2002-06-18
Release date:2002-08-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Dissociative phosphoryl transfer in PEP mutase catalysis: structure of the enzyme/sulfopyruvate complex and kinetic properties of mutants.
Biochemistry, 41, 2002
9G1F
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BU of 9g1f by Molmil
Fragment screening of FosAKP, room-temperature structure in complex with fragment F2X-entry E12
Descriptor: 6-azanyl-3-methyl-1,3-benzoxazol-2-one, Fosfomycin resistance protein, MANGANESE (II) ION
Authors:Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A.
Deposit date:2024-07-10
Release date:2025-07-23
Last modified:2025-10-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
7S6O
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BU of 7s6o by Molmil
The crystal structure of Lys48-linked di-ubiquitin
Descriptor: ACETATE ION, Ubiquitin
Authors:Osipiuk, J, Tesar, C, Lanham, B.T, Wydorski, P, Fushman, D, Joachimiak, L, Joachimiak, A.
Deposit date:2021-09-14
Release date:2021-09-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023
1M39
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BU of 1m39 by Molmil
Solution structure of the C-terminal fragment (F86-I165) of the human centrin 2 in calcium saturated form
Descriptor: Caltractin, isoform 1
Authors:Matei, E, Miron, S, Blouquit, Y, Duchambon, P, Durussel, P, Cox, J.A, Craescu, C.T.
Deposit date:2002-06-27
Release date:2003-03-25
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:C-terminal half of human centrin 2 behaves like a regulatory EF-hand domain
Biochemistry, 42, 2003
9G1I
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BU of 9g1i by Molmil
Fragment screening of FosAKP, cryo structure, ground state
Descriptor: 1,2-ETHANEDIOL, Fosfomycin resistance protein, MANGANESE (II) ION
Authors:Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A.
Deposit date:2024-07-10
Release date:2025-07-23
Last modified:2025-10-22
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
1M4Y
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BU of 1m4y by Molmil
Crystal structure of HslV from Thermotoga maritima
Descriptor: ATP-dependent protease hslV, SODIUM ION
Authors:Song, H.K, Ramachandran, R, Bochtler, M.B, Hartmann, C, Azim, M.K, Huber, R.
Deposit date:2002-07-05
Release date:2003-05-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Isolation and characterization of the prokaryotic proteasome homolog HslVU (ClpQY) from Thermotoga maritima and the crystal structure of HslV.
BIOPHYS.CHEM., 100, 2003
7S5N
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BU of 7s5n by Molmil
Crystal Structure of a Putative uncharacterized protein from Mycobacterium marinum
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, MymaA.17060.a, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-09-10
Release date:2021-09-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of a Putative uncharacterized protein from Mycobacterium marinum
to be published
9G1Q
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BU of 9g1q by Molmil
Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry G08
Descriptor: 1,2-ETHANEDIOL, Fosfomycin resistance protein, MANGANESE (II) ION, ...
Authors:Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A.
Deposit date:2024-07-10
Release date:2025-07-23
Last modified:2025-10-22
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
1M58
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BU of 1m58 by Molmil
Solution Structure of Cytotoxic RC-RNase2
Descriptor: RC-RNase2 ribonuclease
Authors:Hsu, C.-H, Liao, Y.-D, Wu, S.-H, Chen, C.
Deposit date:2002-07-09
Release date:2003-01-09
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:1H, 15N and 13C resonance assignments and secondary structure determination of the RC-RNase 2 from oocytes of bullfrog Rana catesbeiana.
J.Biomol.Nmr, 19, 2001
7S5M
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BU of 7s5m by Molmil
Crystal Structure of a 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase from Mycobacterium smegmatis
Descriptor: 8-amino-7-oxononanoate synthase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-09-10
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of a 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase from Mycobacterium smegmatis
to be published
1M5U
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BU of 1m5u by Molmil
CRYSTAL STRUCTURE OF THE RESPONSE REGULATOR DIVK. STRUCTURE AT PH 8.0 IN THE APO-FORM
Descriptor: cell division response regulator DivK
Authors:Guillet, V, Ohta, N, Cabantous, S, Newton, A, Samama, J.-P, Structural Proteomics in Europe (SPINE)
Deposit date:2002-07-10
Release date:2002-11-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystallographic and biochemical studies of DivK reveal novel features of an essential response regulator in Caulobacter crescentus
J.Biol.Chem., 277, 2002
9G1E
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BU of 9g1e by Molmil
Fragment screening of FosAKP, room-temperature structure in complex with fragment F2X-entry E07
Descriptor: 1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine, Fosfomycin resistance protein, MANGANESE (II) ION
Authors:Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A.
Deposit date:2024-07-10
Release date:2025-07-23
Last modified:2025-10-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
1M1N
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BU of 1m1n by Molmil
Nitrogenase MoFe protein from Azotobacter vinelandii
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(7)-MO-S(9)-N CLUSTER, ...
Authors:Einsle, O, Tezcan, F.A, Andrade, S.L.A, Schmid, B, Yoshida, M, Howard, J.B, Rees, D.C.
Deposit date:2002-06-19
Release date:2002-09-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Nitrogenase MoFe-protein at 1.16 A resolution: a central ligand in the FeMo-cofactor.
Science, 297, 2002
7S3U
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BU of 7s3u by Molmil
Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-amino-3,6-dideoxy-D-glucose
Descriptor: 1,2-ETHANEDIOL, COENZYME A, N-acetyltransferase, ...
Authors:Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M.
Deposit date:2021-09-08
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
Protein Sci., 30, 2021
9G3W
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BU of 9g3w by Molmil
Human Gamma-D crystallin R36S mutant with TNB-Cystein Protein modification
Descriptor: 5-MERCAPTO-2-NITRO-BENZOIC ACID, Gamma-crystallin D
Authors:Hill, J.A, Pulnova, Y, Yorke, B.A.
Deposit date:2024-07-12
Release date:2025-07-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human Gamma-D crystallin R36S mutant with TNB-Cystein Protein modification
To Be Published
1M4M
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BU of 1m4m by Molmil
Mouse Survivin
Descriptor: BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 5, ZINC ION
Authors:Muchmore, S.W, Chen, J, Jakob, C, Zakula, D, Matayoshi, E.D, Wu, W, Zhang, H, Li, F, Ng, S.C, Altieri, D.C.
Deposit date:2002-07-03
Release date:2002-09-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:CRYSTAL STRUCTURE AND MUTAGENIC ANALYSIS OF THE INHIBITOR-OF-APOPTOSIS PROTEIN SURVIVIN
MOL.CELL, 6, 2000
9G46
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BU of 9g46 by Molmil
The structure of Candida albicans phosphoglucose isomerae (CaPGI) in complex with fragments
Descriptor: (1S)-3-(methylamino)-1-thiophen-2-yl-propan-1-ol, 5-PHOSPHOARABINONIC ACID, CHLORIDE ION, ...
Authors:Yan, K.
Deposit date:2024-07-14
Release date:2025-07-23
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Exploration of starting points for the chemical validation of UDP-N-acetylglucosamine pyrophosphorylase in Aspergillus fumigatus
To Be Published
7S43
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BU of 7s43 by Molmil
Crystal structure of an N-acetyltransferase, C80T mutant, from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-amino-3,6-dideoxy-D-glucose
Descriptor: 1,2-ETHANEDIOL, COENZYME A, N-acetyltransferase, ...
Authors:Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M.
Deposit date:2021-09-08
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
Protein Sci., 30, 2021
1M62
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BU of 1m62 by Molmil
Solution structure of the BAG domain from BAG4/SODD
Descriptor: BAG-family molecular chaperone regulator-4
Authors:Briknarova, K, Takayama, S, Homma, S, Baker, K, Cabezas, E, Hoyt, D.W, Li, Z, Satterthwait, A.C, Ely, K.R.
Deposit date:2002-07-11
Release date:2002-07-24
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:BAG4/SODD protein contains a short BAG domain.
J.Biol.Chem., 277, 2002
9G3E
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BU of 9g3e by Molmil
Cryo-EM structure of SbmA in the inward-facing-wide conformation bound to 2 sybodies
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, Peptide antibiotic transporter SbmA, Sybody 2
Authors:Thangaratnarajah, C, Ettema, T.W, Slotboom, D.J.
Deposit date:2024-07-12
Release date:2025-07-23
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Cryo-EM structure of the SbmA in the inward-facing closed conformation bound to 2 sybodies
To Be Published

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數據於2025-10-29公開中

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