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6O5E
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BU of 6o5e by Molmil
Crystal structure of the Vitronectin hemopexin-like domain
Descriptor: CHLORIDE ION, IMIDAZOLE, NITRATE ION, ...
Authors:Lechtenberg, B.C, Shin, K, Marassi, F.M.
Deposit date:2019-03-01
Release date:2019-09-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of human Vitronectin C-terminal domain and interaction withYersinia pestisouter membrane protein Ail.
Sci Adv, 5, 2019
6OTL
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BU of 6otl by Molmil
Structure of Aedes aegypti OBP22 in the complex with benzaldehyde
Descriptor: AAEL005772-PA, BENZOIC ACID, HEXATANTALUM DODECABROMIDE, ...
Authors:Jones, D.N, Murphy, E.
Deposit date:2019-05-03
Release date:2019-06-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
9KQB
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BU of 9kqb by Molmil
PSII-FCPII supercomplex from haptophyte Chrysotila roscoffensis
Descriptor: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
Authors:La Rocca, R, Kato, K, Tsai, P.-C, Nakajima, Y, Akita, F, Shen, J.-R.
Deposit date:2024-11-25
Release date:2025-05-07
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (2.22 Å)
Cite:Structure of a photosystem II-FCPII supercomplex from a haptophyte reveals a distinct antenna organization.
Nat Commun, 16, 2025
9MOT
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BU of 9mot by Molmil
Cryo-EM structure of factor Va bound to activated protein C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor Va heavy chain, Coagulation factor Va light chain, ...
Authors:Mohammed, B.M, Basore, K, Di Cera, E.
Deposit date:2024-12-27
Release date:2025-05-21
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Cryo-EM structure of coagulation factor Va bound to activated protein C.
Blood, 145, 2025
7RKI
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BU of 7rki by Molmil
Griffithsin-S10Y/S42Y/S88Y
Descriptor: Griffithsin, alpha-D-mannopyranose
Authors:Sun, J.D, Zhao, G.X.
Deposit date:2021-07-22
Release date:2022-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:C 3 -Symmetric Aromatic Core of Griffithsin Is Essential for Potent Anti-HIV Activity.
Acs Chem.Biol., 17, 2022
1DJH
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BU of 1djh by Molmil
PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH BARIUM
Descriptor: ACETATE ION, BARIUM ION, PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C, ...
Authors:Essen, L.-O, Perisic, O, Williams, R.L.
Deposit date:1996-09-25
Release date:1997-07-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A ternary metal binding site in the C2 domain of phosphoinositide-specific phospholipase C-delta1.
Biochemistry, 36, 1997
6ZPP
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BU of 6zpp by Molmil
g7941: a virulence factor from Drechmaria coniospora
Descriptor: CHLORIDE ION, virulence factor
Authors:Leone, P, Roussel, A, Zimberger, C.
Deposit date:2020-07-09
Release date:2022-01-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a virulence factor from Drechmaria coniospora, a C. elegans pathogen
To Be Published
1DJG
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BU of 1djg by Molmil
PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH LANTHANUM
Descriptor: ACETATE ION, LANTHANUM (III) ION, PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C, ...
Authors:Essen, L.-O, Perisic, O, Williams, R.L.
Deposit date:1996-09-25
Release date:1997-07-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A ternary metal binding site in the C2 domain of phosphoinositide-specific phospholipase C-delta1.
Biochemistry, 36, 1997
1DSY
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BU of 1dsy by Molmil
C2 DOMAIN FROM PROTEIN KINASE C (ALPHA) COMPLEXED WITH CA2+ AND PHOSPHATIDYLSERINE
Descriptor: 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, CALCIUM ION, PHOSPHATE ION, ...
Authors:Verdaguer, N, Corbalan-Garcia, S, Ochoa, W.F, Fita, I, Gomez-Fernandez, J.C.
Deposit date:2000-01-10
Release date:2000-01-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Ca(2+) bridges the C2 membrane-binding domain of protein kinase Calpha directly to phosphatidylserine.
EMBO J., 18, 1999
7Q24
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BU of 7q24 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD011
Descriptor: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q26
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BU of 7q26 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD013
Descriptor: (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q25
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BU of 7q25 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD012
Descriptor: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
6WN9
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BU of 6wn9 by Molmil
Structure of Staphylococcus aureus peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain, Zn-bound
Descriptor: Acetyltransferase, ZINC ION
Authors:Jones, C.J, Sychantha, D, Howell, P.L, Clarke, A.J.
Deposit date:2020-04-22
Release date:2020-05-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis for theO-acetyltransferase function of the extracytoplasmic domain of OatA fromStaphylococcus aureus.
J.Biol.Chem., 295, 2020
6WY5
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BU of 6wy5 by Molmil
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-37 A.K.A 7-(1-phenyl-3-(((1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl)amino)propyl)-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ...
Authors:Khan, J.A.
Deposit date:2020-05-12
Release date:2020-10-14
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.898 Å)
Cite:Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
7OLH
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BU of 7olh by Molmil
Bacillus subtilis Complex structure 1 of diadenylate cyclase CdaA cytoplasmic domain (CdaACD) and the phosphoglucomutase GlmM short variant (GlmMF369)
Descriptor: Cyclic di-AMP synthase CdaA, Phosphoglucosamine mutase
Authors:Pathania, M, Grundling, A.G, Freemont, P.
Deposit date:2021-05-20
Release date:2021-10-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Structural basis for the inhibition of the Bacillus subtilis c-di-AMP cyclase CdaA by the phosphoglucomutase GlmM.
J.Biol.Chem., 297, 2021
1DQY
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BU of 1dqy by Molmil
CRYSTAL STRUCTURE OF ANTIGEN 85C FROM MYCOBACTERIUM TUBERCULOSIS WITH DIETHYL PHOSPHATE INHIBITOR
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, DIETHYL PHOSPHONATE, PROTEIN (ANTIGEN 85-C)
Authors:Ronning, D.R, Klabunde, T, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2000-01-05
Release date:2000-07-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of the secreted form of antigen 85C reveals potential targets for mycobacterial drugs and vaccines.
Nat.Struct.Biol., 7, 2000
8VXF
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BU of 8vxf by Molmil
Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 15
Descriptor: (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine, Casein kinase I isoform delta
Authors:Thompson, A.A, Milligan, C.M, Sharma, S.
Deposit date:2024-02-04
Release date:2024-05-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions.
Acs Med.Chem.Lett., 15, 2024
8R3K
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BU of 8r3k by Molmil
Influenza A/H7N9 polymerase in self-stalled pre-termination state, with Pol II pS5 CTD peptide mimic bound in site 1A/2A.
Descriptor: 51-mer vRNA loop (v51_mut_S), MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Arragain, B, Cusack, S.
Deposit date:2023-11-09
Release date:2024-02-21
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:The host RNA polymerase II C-terminal domain is the anchor for replication of the influenza virus genome.
Nat Commun, 15, 2024
6WY7
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BU of 6wy7 by Molmil
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-41 A.K.A 7-[1-phenyl-3-({4-phenylbicyclo[2.2.2]octan-1-yl}amino)propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ...
Authors:Khan, J.A.
Deposit date:2020-05-12
Release date:2020-10-14
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.089 Å)
Cite:Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
1DJI
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BU of 1dji by Molmil
PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH CALCIUM
Descriptor: ACETATE ION, CALCIUM ION, PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C, ...
Authors:Essen, L.-O, Perisic, O, Williams, R.L.
Deposit date:1996-09-25
Release date:1997-07-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A ternary metal binding site in the C2 domain of phosphoinositide-specific phospholipase C-delta1.
Biochemistry, 36, 1997
6WXZ
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BU of 6wxz by Molmil
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-29 A.K.A 7-(1,2-DIPHENYLETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ...
Authors:Khan, J.A.
Deposit date:2020-05-12
Release date:2020-10-14
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.226 Å)
Cite:Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
1E4P
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BU of 1e4p by Molmil
Structure of the ribozyme substrate hairpin of Neurospora VS RNA. A close look at the cleavage site
Descriptor: RNA (5'-R(*GP*UP*GP*CP*GP*AP*AP*GP*AP*CP*GP*AP*AP* AP*GP*UP*CP*CP*GP*AP*GP*CP*GP*C)-3')
Authors:Michiels, P.J.A, Schouten, C.H.J, Heus, H.A, Hilbers, C.W.
Deposit date:2000-07-12
Release date:2001-01-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of the Ribozyme Substrate Hairpin of Neurospora Vs RNA: A Close Look at the Cleavage Site
RNA, 6, 2000
6WKW
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BU of 6wkw by Molmil
EM structure of CtBP2 with a minimal dehydrogenase domain of CtBP2
Descriptor: C-terminal-binding protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Jecrois, A.M.
Deposit date:2020-04-17
Release date:2020-12-02
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structure of CtBP2 confirms tetrameric architecture.
Structure, 29, 2021
9MOV
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BU of 9mov by Molmil
Cryo-EM structure of factor Va bound to activated protein C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Coagulation factor Va heavy chain, ...
Authors:Mohammed, B.M, Basore, K, Di Cera, E.
Deposit date:2024-12-27
Release date:2025-05-21
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structure of coagulation factor Va bound to activated protein C.
Blood, 145, 2025
9ODS
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BU of 9ods by Molmil
Structure of CRBN TBD bound to compound C3
Descriptor: (1P)-1-[(4S)-8H-spiro[furo[2,3-c]imidazo[1,2-a]pyridine-7,4'-piperidin]-3-yl]pyrimidine-2,4(1H,3H)-dione, Protein cereblon, ZINC ION
Authors:Strickland, C, Rice, C.
Deposit date:2025-04-27
Release date:2025-05-28
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Discovery and Characterization of PVTX-321 as a Potent and Orally Bioavailable Estrogen Receptor Degrader for ER+/HER2- Breast Cancer.
J.Med.Chem., 68, 2025

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