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5IWX
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Crystal structure of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Bacillus subtitis
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, MAGNESIUM ION
Authors:Liu, Z.C, Jin, Y, Wang, G.G.
Deposit date:2016-03-23
Release date:2017-03-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structure of IspF from Bacillus subtilis and absence of protein complex assembly among IspD/IspE/IspF enzymes in the MEP pathway.
Biosci. Rep., 2018
5PZU
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BU of 5pzu by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor [5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid
Descriptor: Fructose-1,6-bisphosphatase 1, {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
Authors:Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-04-18
Release date:2019-01-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor [5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid
To be published
1CPE
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BU of 1cpe by Molmil
A CATION BINDING MOTIF STABILIZES THE COMPOUND I RADICAL OF CYTOCHROME C PEROXIDASE
Descriptor: CYTOCHROME C PEROXIDASE, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Miller, M.A, Han, G.W, Kraut, J.
Deposit date:1994-08-18
Release date:1994-11-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A cation binding motif stabilizes the compound I radical of cytochrome c peroxidase.
Proc.Natl.Acad.Sci.USA, 91, 1994
1CPG
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BU of 1cpg by Molmil
A CATION BINDING MOTIF STABILIZES THE COMPOUND I RADICAL OF CYTOCHROME C PEROXIDASE
Descriptor: CYTOCHROME C PEROXIDASE, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Miller, M.A, Han, G.W, Kraut, J.
Deposit date:1994-08-18
Release date:1994-11-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A cation binding motif stabilizes the compound I radical of cytochrome c peroxidase.
Proc.Natl.Acad.Sci.USA, 91, 1994
5Q02
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BU of 5q02 by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylurea
Descriptor: Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
Authors:Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-04-18
Release date:2019-01-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylurea
To be published
5Q0C
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BU of 5q0c by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylurea and with fructose-2,6-diphosphate
Descriptor: 2,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide
Authors:Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-04-18
Release date:2019-01-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylurea and with f2,6p
To be published
5GXY
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BU of 5gxy by Molmil
Crystal structure of endoglucanase CelQ from Clostridium thermocellum complexed with cellobiose and Tris
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ...
Authors:Jeng, W.Y, Liu, C.I, Wang, A.H.J.
Deposit date:2016-09-21
Release date:2017-09-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of the C-Terminally Truncated Endoglucanase Cel9Q from Clostridium thermocellum Complexed with Cellodextrins and Tris.
Chembiochem, 20, 2019
5GY0
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BU of 5gy0 by Molmil
Crystal structure of endoglucanase CelQ from Clostridium thermocellum complexed with cellotetraose
Descriptor: BROMIDE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Jeng, W.Y, Liu, C.I, Wang, A.H.J.
Deposit date:2016-09-21
Release date:2017-09-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal Structures of the C-Terminally Truncated Endoglucanase Cel9Q from Clostridium thermocellum Complexed with Cellodextrins and Tris.
Chembiochem, 20, 2019
5GY1
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BU of 5gy1 by Molmil
Crystal structure of endoglucanase CelQ from Clostridium thermocellum complexed with cellotriose
Descriptor: BROMIDE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Jeng, W.Y, Liu, C.I, Wang, A.H.J.
Deposit date:2016-09-21
Release date:2017-09-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structures of the C-Terminally Truncated Endoglucanase Cel9Q from Clostridium thermocellum Complexed with Cellodextrins and Tris.
Chembiochem, 20, 2019
5GXX
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BU of 5gxx by Molmil
Crystal structure of endoglucanase CelQ from Clostridium thermocellum complexed with Tris
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Jeng, W.Y, Liu, C.I, Wang, A.H.J.
Deposit date:2016-09-21
Release date:2017-09-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structures of the C-Terminally Truncated Endoglucanase Cel9Q from Clostridium thermocellum Complexed with Cellodextrins and Tris.
Chembiochem, 20, 2019
5VP9
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BU of 5vp9 by Molmil
Crystal structure of HCV NS3/4A protease in complex with AM-07, an analogue of 5172-mcP1P3
Descriptor: NS4A cofactor -- NS3 protein chimera, SULFATE ION, ZINC ION, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2017-05-04
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.
J. Med. Chem., 60, 2017
5GXZ
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BU of 5gxz by Molmil
Crystal structure of endoglucanase CelQ from Clostridium thermocellum complexed with cellobiose and cellotriose
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, BROMIDE ION, CALCIUM ION, ...
Authors:Jeng, W.Y, Liu, C.I, Wang, A.H.J.
Deposit date:2016-09-21
Release date:2017-09-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structures of the C-Terminally Truncated Endoglucanase Cel9Q from Clostridium thermocellum Complexed with Cellodextrins and Tris.
Chembiochem, 20, 2019
7RIB
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BU of 7rib by Molmil
Griffithsin mutant Y28F/Y68F/Y110F
Descriptor: Griffithsin, SULFATE ION, alpha-D-mannopyranose
Authors:Zhao, G, Sun, J, Bewley, C.A.
Deposit date:2021-07-19
Release date:2022-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:C 3 -Symmetric Aromatic Core of Griffithsin Is Essential for Potent Anti-HIV Activity.
Acs Chem.Biol., 17, 2022
5WJ6
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BU of 5wj6 by Molmil
Crystal structure of glutaminase C in complex with inhibitor 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide (UPGL-00004)
Descriptor: 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial
Authors:Huang, Q, Cerione, R.A.
Deposit date:2017-07-21
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.445 Å)
Cite:Characterization of the interactions of potent allosteric inhibitors with glutaminase C, a key enzyme in cancer cell glutamine metabolism.
J. Biol. Chem., 293, 2018
5WSS
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BU of 5wss by Molmil
Crystal structure of T-Hg-T pair containing DNA duplex in the presence Ba2+
Descriptor: BARIUM ION, DNA (5'-D(*GP*GP*TP*CP*GP*TP*CP*C)-3'), MERCURY (II) ION
Authors:Gan, J.H, Liu, H.H.
Deposit date:2016-12-08
Release date:2017-02-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Flexibility and stabilization of HgII-mediated C:T and T:T base pairs in DNA duplex
Nucleic Acids Res., 45, 2017
1A8C
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BU of 1a8c by Molmil
PRIMARY SEQUENCE AND SOLUTION CONFORMATION OF FERROCYTOCHROME C-552 FROM NITROSOMONAS EUROPAEA, NMR, MEAN STRUCTURE REFINED WITHOUT HYDROGEN BOND CONSTRAINTS
Descriptor: FERROCYTOCHROME C-552, HEME C
Authors:Timkovich, R, Bergmann, D, Arciero, D.M, Hooper, A.B.
Deposit date:1998-03-23
Release date:1998-10-21
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Primary sequence and solution conformation of ferrocytochrome c-552 from Nitrosomonas europaea.
Biophys.J., 75, 1998
7K5M
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BU of 7k5m by Molmil
CRYSTAL STRUCTURE OF HBV CAPSID Y132A MUTANT IN COMPLEX WITH N-(3-chloro-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide AT 2.65A RESOLUTION
Descriptor: Capsid protein, ISOPROPYL ALCOHOL, N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
Authors:Kuduk, S.D, Stoops, B, Alexander, R, Lam, A.M, Espiritu, C, Vogel, R, Lau, V, Klumpp, K, Flores, O.A, Hartman, G.D, Lukacs, C.M, Abendroth, J.
Deposit date:2020-09-17
Release date:2021-07-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Identification of a new class of HBV capsid assembly modulator.
Bioorg.Med.Chem.Lett., 39, 2021
7RXI
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BU of 7rxi by Molmil
Fab234 in complex with the C-terminal alpha-TSR domain of P. falciparum
Descriptor: Circumsporozoite protein, Fab234 heavy chain, Fab234 light chain
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2021-08-23
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
7RXP
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BU of 7rxp by Molmil
Fab1512 in complex with the C-terminal alpha-TSR domain of P. falciparum
Descriptor: Circumsporozoite protein, Fab1512 heavy chain, Fab1512 light chain
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2021-08-23
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
7YNX
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BU of 7ynx by Molmil
Crystal structure of Pirh2 bound to poly-Ala peptide
Descriptor: RING finger and CHY zinc finger domain-containing protein 1, SODIUM ION, SULFATE ION, ...
Authors:Dong, C, Yan, X, Li, Y.
Deposit date:2022-08-01
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Recognition of an Ala-rich C-degron by the E3 ligase Pirh2.
Nat Commun, 14, 2023
6RQF
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BU of 6rqf by Molmil
3.6 Angstrom cryo-EM structure of the dimeric cytochrome b6f complex from Spinacia oleracea with natively bound thylakoid lipids and plastoquinone molecules
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
Authors:Malone, L.A, Qian, P, Mayneord, G.E, Hitchcock, A, Farmer, D, Thompson, R, Swainsbury, D.J.K, Ranson, N, Hunter, C.N, Johnson, M.P.
Deposit date:2019-05-15
Release date:2019-11-13
Last modified:2019-12-04
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Cryo-EM structure of the spinach cytochrome b6f complex at 3.6 angstrom resolution.
Nature, 575, 2019
5VGE
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BU of 5vge by Molmil
Crystal structure of HLA-C*07:02 in complex with RYR peptide
Descriptor: ARG-TYR-ARG-PRO-GLY-THR-VAL-ALA-LEU, Beta-2-microglobulin, ZINC ION, ...
Authors:Mobbs, J.I, Vivian, J.P, Gras, S, Rossjohn, J.
Deposit date:2017-04-11
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and regulatory diversity shape HLA-C protein expression levels.
Nat Commun, 8, 2017
1AM7
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BU of 1am7 by Molmil
Lysozyme from bacteriophage lambda
Descriptor: ISOPROPYL ALCOHOL, LYSOZYME
Authors:Evrard, C, Fastrez, J, Declercq, J.P.
Deposit date:1997-06-24
Release date:1997-12-24
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the lysozyme from bacteriophage lambda and its relationship with V and C-type lysozymes.
J.Mol.Biol., 276, 1998
7VS3
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BU of 7vs3 by Molmil
The crystal structure of rat calcium-dependent activator protein for secretion (CAPS) C2PH
Descriptor: Calcium-dependent secretion activator 1, SULFATE ION
Authors:Zhou, H, Wei, Z.Q, Zhang, L, Ren, Y.J, Ma, C.
Deposit date:2021-10-25
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.595 Å)
Cite:The C 2 and PH domains of CAPS constitute an effective PI(4,5)P2-binding unit essential for Ca 2+ -regulated exocytosis.
Structure, 31, 2023
5VOJ
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BU of 5voj by Molmil
Crystal structure of HCV NS3/4A protease in complex with JZ01-15, an analogue of 5172-mcP1P3
Descriptor: NS4A cofactor -- NS3 protein chimera, SULFATE ION, ZINC ION, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2017-05-03
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.
J. Med. Chem., 60, 2017

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