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6DP3
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BU of 6dp3 by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 10 mM Mg2+ and 75 mM K+ for 40 s at 21 C
Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.461 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6DPK
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BU of 6dpk by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A in Complex with an RNA/DNA Hybrid: Reaction in 4 mM Mn2+ and 200 mM K+ for 240 s at 21 C
Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.391 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
7OZ8
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BU of 7oz8 by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT1918_S1_46)
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, ACETATE ION, Choline-sulfatase
Authors:Cartmell, A.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7OXN
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BU of 7oxn by Molmil
Crystal Structure of TAP01 in complex with cyclised amyloid beta peptide
Descriptor: 1,2-ETHANEDIOL, Amyloid-beta precursor protein, TAP01 family antibody heavy chain, ...
Authors:Hall, G, Cowan, R, Carr, M.D.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of a novel pseudo beta-hairpin structure of N-truncated amyloid-beta for use as a vaccine against Alzheimer's disease.
Mol Psychiatry, 27, 2022
7OQ2
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BU of 7oq2 by Molmil
NaK S-DI mutant soaked in Na+
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, POTASSIUM ION, ...
Authors:Minniberger, S, Plested, A.J.R.
Deposit date:2021-06-02
Release date:2022-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7P26
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BU of 7p26 by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT4631_S1_15)
Descriptor: CALCIUM ION, POLYETHYLENE GLYCOL (N=34), Putative arylsulfatase, ...
Authors:Cartmell, A.
Deposit date:2021-07-04
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
6DG2
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BU of 6dg2 by Molmil
Antigen Binding Fragment of the Pan-ebolavirus Monoclonal Antibody 6D6
Descriptor: 6D6 Fab heavy chain, 6D6 Fab light chain
Authors:Milligan, J.C, Saphire, E.O.
Deposit date:2018-05-16
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural Characterization of Pan-Ebolavirus Antibody 6D6 Targeting the Fusion Peptide of the Surface Glycoprotein.
J. Infect. Dis., 219, 2019
7OQ8
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BU of 7oq8 by Molmil
Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ178
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Estrogen receptor, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-06-02
Release date:2022-06-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7P24
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BU of 7p24 by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3177_S1_11)
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Cartmell, A.
Deposit date:2021-07-03
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
6DR5
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BU of 6dr5 by Molmil
X-ray crystallographic structure of a covalent trimer derived from A-beta 17_36 containing the I31Chg point mutation
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ORT-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORT-ALA-CHG-ILE-GLY-LEU-ORA-VAL
Authors:Salveson, P.J, Nowick, J.S.
Deposit date:2018-06-11
Release date:2018-10-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.079 Å)
Cite:Repurposing Triphenylmethane Dyes to Bind to Trimers Derived from A beta.
J. Am. Chem. Soc., 140, 2018
7OQ7
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BU of 7oq7 by Molmil
Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ162
Descriptor: 14-3-3 protein sigma, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-06-02
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OZA
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BU of 7oza by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3796_S1_16)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ...
Authors:Cartmell, A.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7OQR
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BU of 7oqr by Molmil
Crystal structure of Trypanosoma cruzi peroxidase
Descriptor: ACETATE ION, Ascorbate peroxidase, GLYCEROL, ...
Authors:Freeman, S.L, Kwon, H, Skafar, V, Fielding, A.J, Martinez, A, Piacenza, L, Radi, R, Raven, E.L.
Deposit date:2021-06-04
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of Trypanosoma cruzi heme peroxidase and characterization of its substrate specificity and compound I intermediate.
J.Biol.Chem., 298, 2022
6DK1
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BU of 6dk1 by Molmil
Human sigma-1 receptor bound to (+)-pentazocine
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,6S,11S)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol, GLYCEROL, ...
Authors:Schmidt, H.R, Kruse, A.C.
Deposit date:2018-05-28
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural basis for sigma1receptor ligand recognition.
Nat. Struct. Mol. Biol., 25, 2018
7OZE
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BU of 7oze by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT1624-S1_15)
Descriptor: 6-O-sulfo-beta-D-galactopyranose, CALCIUM ION, Putative secreted sulfatase
Authors:Cartmell, A.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7OW1
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BU of 7ow1 by Molmil
Crystal Structure of TAP01 in complex with amyloid beta peptide
Descriptor: Amyloid-beta precursor protein, CITRATE ANION, TAP01 family antibody heavy chain, ...
Authors:Hall, G, Cowan, R, Carr, M.D.
Deposit date:2021-06-16
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of a novel pseudo beta-hairpin structure of N-truncated amyloid-beta for use as a vaccine against Alzheimer's disease.
Mol Psychiatry, 27, 2022
6D4W
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BU of 6d4w by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 35 (VCC620637)
Descriptor: 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
7P4E
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BU of 7p4e by Molmil
Crystal structure of PPARgamma in complex with compound FL217
Descriptor: 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma, SULFATE ION, ...
Authors:Ni, X, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-07-11
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
J.Med.Chem., 64, 2021
6DLX
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BU of 6dlx by Molmil
FtsY-NG domain bound to fragment 3.
Descriptor: 4-bromo-2,5-dimethoxyaniline, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Ataide, F.S, Faoro, C.
Deposit date:2018-06-04
Release date:2018-08-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Discovery of fragments that target key interactions in the signal recognition particle (SRP) as potential leads for a new class of antibiotics.
PLoS ONE, 13, 2018
7OKV
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BU of 7okv by Molmil
Crystal structure of soluble EPCR after exposure to the nonionic surfactant Polysorbate 20
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, ...
Authors:Erausquin, E, Dichiara, M.G, Lopez-Sagaseta, J.
Deposit date:2021-05-18
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of a broad lipid repertoire associated to the endothelial cell protein C receptor (EPCR).
Sci Rep, 12, 2022
6D9I
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BU of 6d9i by Molmil
Pekin duck egg lysozyme isoform II (DEL-II)
Descriptor: CHLORIDE ION, Lysozyme, MAGNESIUM ION
Authors:Langley, D.B, Christ, D.
Deposit date:2018-04-30
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structure of duck egg lysozyme isoform II (DEL-II).
BMC Struct. Biol., 18, 2018
6DOH
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BU of 6doh by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Soak in 0.5 mM EGTA and 200 mM K+ at 21 C
Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), 5'-R(P*CP*G)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.363 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6DP1
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BU of 6dp1 by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 5 mM Mg2+ and 75 mM K+ for 40 s at 21 C
Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6DPF
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BU of 6dpf by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 40 mM Mn2+ and 200 mM K+ for 40 s at 21 C
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
7P4K
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BU of 7p4k by Molmil
Soluble epoxide hydrolase in complex with FL217
Descriptor: Bifunctional epoxide hydrolase 2, ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide
Authors:Ni, X, Kramer, J.S, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-07-11
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
J.Med.Chem., 64, 2021

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PDB entries from 2024-08-14

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