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2DVN
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BU of 2dvn by Molmil
Structure of PH1917 protein with the complex of IMP from Pyrococcus horikoshii
Descriptor: GLYCEROL, Hypothetical protein PH1917, INOSINIC ACID, ...
Authors:Lokanath, N.K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-07-31
Release date:2007-09-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of dimeric nonstandard nucleotide triphosphate pyrophosphatase from Pyrococcus horikoshii OT3: functional significance of interprotomer conformational changes
J.Mol.Biol., 375, 2008
3KCI
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BU of 3kci by Molmil
The third RLD domain of HERC2
Descriptor: Probable E3 ubiquitin-protein ligase HERC2
Authors:Walker, J.R, Qiu, L, Vesterberg, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S.
Deposit date:2009-10-21
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Third RLD Domain of Herc2
To be Published
8J0P
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BU of 8j0p by Molmil
Chitin binding SusD-like protein AqSusD from a marine Bacteroidetes
Descriptor: Chitin binding SusD-like protein
Authors:Yang, J.
Deposit date:2023-04-11
Release date:2023-11-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights of a SusD-like protein in marine Bacteroidetes bacteria reveal the molecular basis for chitin recognition and acquisition.
Febs J., 291, 2024
8X0E
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BU of 8x0e by Molmil
Human FL Metabotropic glutamate receptor 5, mGlu5-5M with agonist and PAM, W785A mutant
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5
Authors:Vinothkumar, K.R, Lebon, G, Cannone, G.
Deposit date:2023-11-04
Release date:2024-11-06
Last modified:2025-01-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Conformational diversity in class C GPCR positive allosteric modulation.
Nat Commun, 16, 2025
2VP1
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BU of 2vp1 by Molmil
Fe-FutA2 from Synechocystis PCC6803
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, FE (III) ION, ...
Authors:Badarau, A, Firbank, S.J, Banfield, M.J, Dennison, C.
Deposit date:2008-02-26
Release date:2008-03-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Futa2 is a Ferric Binding Protein from Synechocystis Pcc 6803.
J.Biol.Chem., 283, 2008
8BAX
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BU of 8bax by Molmil
X-ray structure of the CeuE Homologue from Geobacillus stearothermophilus - azotochelin complex.
Descriptor: Azotochelin, FE (III) ION, Siderophore ABC transporter substrate-binding protein
Authors:Blagova, E.V, Miller, A, Dodson, E.J, Booth, R, Duhme-Klair, A.K, Wilson, K.S.
Deposit date:2022-10-12
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius.
Acta Crystallogr D Struct Biol, 79, 2023
2W6N
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BU of 2w6n by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole fragment series
Descriptor: 2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE, BIOTIN CARBOXYLASE, CHLORIDE ION
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-18
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2W71
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BU of 2w71 by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with the imidazole-pyrimidine inhibitor
Descriptor: 4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-19
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
3DP8
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BU of 3dp8 by Molmil
Structural characterization of a putative endogenous metal chelator in the periplasmic nickel transporter NikA (nickel butane-1,2,4-tricarboxylate form)
Descriptor: (2R)-butane-1,2,4-tricarboxylic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Cherrier, M.V, Cavazza, C, Bochot, C, Lemaire, D, Fontecilla-Camps, J.C.
Deposit date:2008-07-07
Release date:2008-09-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural characterization of a putative endogenous metal chelator in the periplasmic nickel transporter NikA
Biochemistry, 47, 2008
3KWI
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BU of 3kwi by Molmil
X-ray structure of NS1 effector domain W187Y mutant
Descriptor: Non-structural protein 1
Authors:Xia, S, Robertus, J.D.
Deposit date:2009-12-01
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:X-ray structures of NS1 effector domain mutants.
Arch.Biochem.Biophys., 494, 2010
1MNO
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BU of 1mno by Molmil
V68N MYOGLOBIN OXY FORM
Descriptor: OXYGEN MOLECULE, PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Murshudov, G.N, Krzywda, S, Brzozowski, A.M, Jaskolski, M, Scott, E.E, Klizas, S.A, Gibson, Q.H, Olson, J.S, Wilkinson, A.J.
Deposit date:1998-08-13
Release date:1998-08-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution.
Biochemistry, 37, 1998
1MWC
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BU of 1mwc by Molmil
WILD TYPE MYOGLOBIN WITH CO
Descriptor: CARBON MONOXIDE, PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Murshudov, G.N, Krzywda, S, Brzozowski, A.M, Jaskolski, M, Scott, E.E, Klizas, S.A, Gibson, Q.H, Olson, J.S, Wilkinson, A.J.
Deposit date:1998-08-12
Release date:1998-08-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution.
Biochemistry, 37, 1998
7KXI
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BU of 7kxi by Molmil
Structure of XL5-ligated hRpn13 Pru domain
Descriptor: 2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid, Proteasomal ubiquitin receptor ADRM1
Authors:Lu, X, Walters, K.J.
Deposit date:2020-12-03
Release date:2021-12-15
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:Structure-guided bifunctional molecules hit a DEUBAD-lacking hRpn13 species upregulated in multiple myeloma.
Nat Commun, 12, 2021
6J8M
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BU of 6j8m by Molmil
Low-dose structure of bovine heart cytochrome c oxidase in the fully oxidized state determined using 30 keV X-ray
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Ueno, G, Shimada, A, Yamashita, E, Hasegawa, K, Kumasaka, T, Shinzawa-Itoh, K, Yoshikawa, S, Tsukihara, T, Yamamoto, M.
Deposit date:2019-01-20
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Low-dose X-ray structure analysis of cytochrome c oxidase utilizing high-energy X-rays.
J.Synchrotron Radiat., 26, 2019
1MWD
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BU of 1mwd by Molmil
WILD TYPE DEOXY MYOGLOBIN
Descriptor: PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Murshudov, G.N, Krzywda, S, Brzozowski, A.M, Jaskolski, M, Scott, E.E, Klizas, A.A, Gibson, Q.H, Olson, J.S, Wilkinson, A.J.
Deposit date:1998-08-11
Release date:1998-08-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution.
Biochemistry, 37, 1998
6J35
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BU of 6j35 by Molmil
Crystal structure of ligand-free of PulA-G680L mutant from Klebsiella pneumoniae
Descriptor: CALCIUM ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B.
Deposit date:2019-01-09
Release date:2019-09-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.839 Å)
Cite:Relationship between the induced-fit loop and the activity of Klebsiella pneumoniae pullulanase.
Acta Crystallogr D Struct Biol, 75, 2019
3I0F
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BU of 3i0f by Molmil
Crystal structure of GTB C80S/C196S + UDP + H antigen
Descriptor: ABO glycosyltransferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
Authors:Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V.
Deposit date:2009-06-25
Release date:2010-08-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
2W6Q
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BU of 2w6q by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with the triazine-2,4-diamine fragment
Descriptor: 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-18
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2W70
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BU of 2w70 by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with the amino-thiazole-pyrimidine fragment
Descriptor: 4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-19
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
3OOD
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BU of 3ood by Molmil
Structure of OpdA Y257F mutant soaked with diethyl 4-methoxyphenyl phosphate for 20 hours.
Descriptor: COBALT (II) ION, DIETHYL 4-METHOXYPHENYL PHOSPHATE, Phosphotriesterase
Authors:Ely, F, Guddat, L.W, Ollis, D.L, Schenk, G.
Deposit date:2010-08-31
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The organophosphate-degrading enzyme from Agrobacterium radiobacter displays mechanistic flexibility for catalysis.
Biochem.J., 432, 2010
3I0J
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BU of 3i0j by Molmil
Crystal structure of GTB C80S/C196S/C209S + H antigen
Descriptor: ABO glycosyltransferase, alpha-L-fucopyranose-(1-2)-hexyl beta-D-galactopyranoside
Authors:Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V.
Deposit date:2009-06-25
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding.
J.Mol.Biol., 402, 2010
3I0D
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BU of 3i0d by Molmil
Crystal structure of GTB C80S/C196S + UDP
Descriptor: ABO glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V.
Deposit date:2009-06-25
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
3I0I
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BU of 3i0i by Molmil
Crystal structure of GTB C80S/C196S/C209S + UDP
Descriptor: ABO glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V.
Deposit date:2009-06-25
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
5EQ3
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BU of 5eq3 by Molmil
Crystal structure of the SrpA adhesin from Streptococcus sanguinis with a sialyl galactose disaccharide bound
Descriptor: ACETATE ION, CALCIUM ION, N-glycolyl-alpha-neuraminic acid-(2-3)-methyl beta-D-galactopyranoside, ...
Authors:Loukachevitch, L.V, McCulloch, K.M, Vann, K.R, Wawrzak, Z, Anderson, S, Iverson, T.M.
Deposit date:2015-11-12
Release date:2016-01-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Sialoglycan Binding by the Streptococcus sanguinis SrpA Adhesin.
J.Biol.Chem., 291, 2016
3LGR
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BU of 3lgr by Molmil
Xylanase II from Trichoderma reesei cocrystallized with tris-dipicolinate europium
Descriptor: EUROPIUM ION, Endo-1,4-beta-xylanase 2, PYRIDINE-2,6-DICARBOXYLIC ACID
Authors:Pompidor, G, Kahn, R, Maury, O.
Deposit date:2010-01-21
Release date:2011-01-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A dipicolinate lanthanide complex for solving protein structures using anomalous diffraction.
Acta Crystallogr.,Sect.D, 66, 2010

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