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9OK2
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BU of 9ok2 by Molmil
Crystal structure of E. coli ApaH in complex with UDP
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bis(5'-nucleosyl)-tetraphosphatase [symmetrical], MAGNESIUM ION, ...
Authors:Nuthanakanti, A, Serganov, A.
Deposit date:2025-05-08
Release date:2025-09-03
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:ApaH decaps Np 4 N-capped RNAs in two alternative orientations.
Nat.Chem.Biol., 2025
9SLY
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BU of 9sly by Molmil
CryoEM Structure of HIV-1 CA hexamer from Mxb1-35/CA-NC tube complex
Descriptor: Gag polyprotein
Authors:Zhu, Y, Shen, J, Zhang, P.
Deposit date:2025-09-05
Release date:2025-09-17
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:MxB N-Terminus Adopts a Stable alpha-Helix to Engage the HIV-1 Capsid Trimer Interface
To Be Published
9R70
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BU of 9r70 by Molmil
Pyrin B30.2 domain, FMF mutation M680L
Descriptor: 1,2-ETHANEDIOL, Pyrin, THIOCYANATE ION
Authors:Mittl, P, Possner, D.
Deposit date:2025-05-13
Release date:2025-06-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Pyrin B30.2 domain, FMF mutation M680L
To Be Published
9O0K
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BU of 9o0k by Molmil
ChtA CR domain from Corynebacterium diphtheriae
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Ford, J, Sawaya, M.R, Clubb, R.T.
Deposit date:2025-04-02
Release date:2025-09-03
Last modified:2025-10-08
Method:X-RAY DIFFRACTION (1.629 Å)
Cite:Structural basis of heme scavenging by the ChtA and HtaA hemophores in Corynebacterium diphtheriae.
J.Biol.Chem., 301, 2025
9R6Y
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BU of 9r6y by Molmil
Pyrin B30.2 domain, FMF mutation R653H
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Pyrin, ...
Authors:Mittl, P, Possner, D.
Deposit date:2025-05-13
Release date:2025-06-18
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Pyrin B30.2 domain, FMF mutation R653H
To Be Published
9R74
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BU of 9r74 by Molmil
Pyrin B30.2 domain, FMF mutation I641F
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Pyrin, ...
Authors:Mittl, P, Possner, D.
Deposit date:2025-05-13
Release date:2025-06-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pyrin B30.2 domain, FMF mutation I641F
To Be Published
1EVK
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BU of 1evk by Molmil
CRYSTAL STRUCTURE OF A TRUNCATED FORM OF THREONYL-TRNA SYNTHETASE WITH THE LIGAND THREONINE
Descriptor: THREONINE, THREONYL-TRNA SYNTHETASE, ZINC ION
Authors:Sankaranarayanan, R, Dock-Bregeon, A.C, Rees, B, Moras, D.
Deposit date:2000-04-20
Release date:2000-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Zinc ion mediated amino acid discrimination by threonyl-tRNA synthetase.
Nat.Struct.Biol., 7, 2000
102D
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BU of 102d by Molmil
SEQUENCE-DEPENDENT DRUG BINDING TO THE MINOR GROOVE OF DNA: THE CRYSTAL STRUCTURE OF THE DNA DODECAMER D(CGCAAATTTGCG)2 COMPLEXED WITH PROPAMIDINE
Descriptor: 1,3-BIS(AMIDINOPHENOXY)PROPANE, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3')
Authors:Nunn, C.M, Neidle, S.
Deposit date:1994-12-15
Release date:1995-02-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sequence-dependent drug binding to the minor groove of DNA: crystal structure of the DNA dodecamer d(CGCAAATTTGCG)2 complexed with propamidine.
J.Med.Chem., 38, 1995
1EKF
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BU of 1ekf by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL) COMPLEXED WITH PYRIDOXAL-5'-PHOSPHATE AT 1.95 ANGSTROMS (ORTHORHOMBIC FORM)
Descriptor: BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL), PYRIDOXAL-5'-PHOSPHATE
Authors:Yennawar, N.H, Dunbar, J.H, Conway, M, Hutson, S.M, Farber, G.K.
Deposit date:2000-03-08
Release date:2001-03-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The structure of human mitochondrial branched-chain aminotransferase.
Acta Crystallogr.,Sect.D, 57, 2001
1EWQ
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BU of 1ewq by Molmil
CRYSTAL STRUCTURE TAQ MUTS COMPLEXED WITH A HETERODUPLEX DNA AT 2.2 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*AP*CP*GP*CP*TP*AP*GP*CP*GP*TP*GP*CP*GP*GP*CP*TP*CP*GP*TP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*GP*AP*GP*CP*CP*GP*CP*CP*GP*CP*TP*AP*GP*CP*GP*TP*CP*G)-3'), ...
Authors:Obmolova, G, Ban, C, Hsieh, P, Yang, W.
Deposit date:2000-04-26
Release date:2000-10-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of mismatch repair protein MutS and its complex with a substrate DNA.
Nature, 407, 2000
7OCJ
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BU of 7ocj by Molmil
Crystal structure of E.coli LexA in complex with nanobody NbSOS2(Nb14509)
Descriptor: 1,2-ETHANEDIOL, LexA repressor, NbSOS2 (14509)
Authors:Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L.
Deposit date:2021-04-27
Release date:2022-10-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022
8EYU
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BU of 8eyu by Molmil
Structure of Beetroot dimer bound to DFAME
Descriptor: POTASSIUM ION, RNA (49-MER), methyl (2E)-3-{(4Z)-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}prop-2-enoate
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-10-28
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture.
Nat Commun, 14, 2023
1F5S
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BU of 1f5s by Molmil
CRYSTAL STRUCTURE OF PHOSPHOSERINE PHOSPHATASE FROM METHANOCOCCUS JANNASCHII
Descriptor: MAGNESIUM ION, PHOSPHATE ION, PHOSPHOSERINE PHOSPHATASE (PSP)
Authors:Wang, W, Kim, R, Jancarik, J, Yokota, H, Kim, S.H, Berkeley Structural Genomics Center (BSGC)
Deposit date:2000-06-15
Release date:2001-06-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of phosphoserine phosphatase from Methanococcus jannaschii, a hyperthermophile, at 1.8 A resolution.
Structure, 9, 2001
8EU1
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BU of 8eu1 by Molmil
Ancestral PETase 35_442 Mutant F93L
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Polyethylene terephthalate hydrolase, ...
Authors:Saunders, J.W, Frkic, R.L, Jackson, C.J.
Deposit date:2022-10-18
Release date:2023-11-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Ancestral PETase 35_442 Mutant F93L
To Be Published
5V2G
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BU of 5v2g by Molmil
De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures
Descriptor: 1,3,5-tris(bromomethyl)benzene, 20-mer Peptide
Authors:Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F.
Deposit date:2017-03-03
Release date:2017-09-27
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6NZX
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BU of 6nzx by Molmil
Hadesarchaea YNP_N21 cytochrome b5 domain protein (KUO41884.1)
Descriptor: Cytochrome B5, PROTOPORPHYRIN IX CONTAINING FE
Authors:Teakel, S.L, Marama, M.S, Aragao, D, Forwood, J.K, Cahill, M.A.
Deposit date:2019-02-14
Release date:2019-03-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hadesarchaea YNP_N21 cytochrome b5 domain protein (KUO41884.1)
To Be Published
1F9G
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BU of 1f9g by Molmil
CRYSTAL STRUCTURE OF STREPTOCOCCUS PNEUMONIAE HYALURONATE LYASE COCRYSTALLIZED WITH ASCORBIC ACID
Descriptor: ASCORBIC ACID, HYALURONATE LYASE
Authors:Li, S, Jedrzejas, M.J.
Deposit date:2000-07-10
Release date:2001-05-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Vitamin C inhibits the enzymatic activity of Streptococcus pneumoniae hyaluronate lyase.
J.Biol.Chem., 276, 2001
1FH8
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BU of 1fh8 by Molmil
CRYSTAL STRUCTURE OF THE XYLANASE CEX WITH XYLOBIOSE-DERIVED ISOFAGOMINE INHIBITOR
Descriptor: BETA-1,4-XYLANASE, PIPERIDINE-3,4-DIOL, beta-D-xylopyranose
Authors:Notenboom, V, Williams, S.J, Hoos, R, Withers, S.G, Rose, D.R.
Deposit date:2000-07-31
Release date:2000-08-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Detailed structural analysis of glycosidase/inhibitor interactions: complexes of Cex from Cellulomonas fimi with xylobiose-derived aza-sugars.
Biochemistry, 39, 2000
166D
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BU of 166d by Molmil
DRUG-DNA MINOR GROOVE RECOGNITION: CRYSTAL STRUCTURE OF GAMMA-OXAPENTAMIDINE COMPLEXED WITH D(CGCGAATTCGCG)2
Descriptor: 1,5-DI(4-AMIDINOPHENOXY)-3-OXA-PENTANE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Nunn, C.M, Jenkins, T.C, Neidle, S.
Deposit date:1994-03-17
Release date:1994-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of gamma-oxapentamidine complexed with d(CGCGAATTCGCG)2. The effects of drug structural change on DNA minor-groove recognition.
Eur.J.Biochem., 226, 1994
6MVT
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BU of 6mvt by Molmil
Structure of a bacterial ALDH16 complexed with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Aldehyde dehydrogenase, SODIUM ION
Authors:Tanner, J.J, Liu, L.
Deposit date:2018-10-28
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Aldehyde Dehydrogenase 16 Reveals Trans-Hierarchical Structural Similarity and a New Dimer.
J. Mol. Biol., 431, 2019
7P3M
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BU of 7p3m by Molmil
Solution structures of HIV-1 and SIVmac p6 and their interaction with accessory proteins Vpr and Vpx in the presence of DPC micelles
Descriptor: Gag polyprotein
Authors:Wang, X, Nonin-Lecomte, S, Bouaziz, S.
Deposit date:2021-07-08
Release date:2023-01-18
Last modified:2024-03-27
Method:SOLUTION NMR
Cite:Solution structures of HIV-1 and SIVmac p6 and their interaction with accessory proteins Vpr and Vpx in the presence of DPC micelles
To Be Published
7S6E
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BU of 7s6e by Molmil
Crystal structure of UrtA from Synechococcus CC9311 in complex with urea and calcium
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Shah, B.S, Mikolajek, H, Mykhaylyk, V, Orr, C.M, Owens, R.J, Paulsen, I.T.
Deposit date:2021-09-14
Release date:2021-10-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Crystal structure of UrtA from Synechococcus CC9311 in complex with urea and calcium
To Be Published
8X8P
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BU of 8x8p by Molmil
Phenylethanol rhamnosyltransferase (CmGT3)
Descriptor: 1,2-ETHANEDIOL, Phenylethanol rhamnosyltransferase (CmGT3)
Authors:Wang, H.T, Wang, Z.L, Ye, M.
Deposit date:2023-11-28
Release date:2024-04-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Construct Phenylethanoid Glycosides Harnessing Biosynthetic Networks, Protein Engineering and One-Pot Multienzyme Cascades.
Angew.Chem.Int.Ed.Engl., 63, 2024
1C9Z
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BU of 1c9z by Molmil
D232-CGTACG
Descriptor: 1,3-DI[[[10-METHOXY-7H-PYRIDO[4,3-C]CARBAZOL-2-IUMYL]-ETHYL]-PIPERIDIN-4-YL]-PROPANE, 5'-D(*CP*GP*TP*AP*CP*G)-3'
Authors:Williams, L.D.
Deposit date:1999-08-03
Release date:2000-04-02
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Effects of cationic charge on three-dimensional structures of intercalative complexes: structure of a bis-intercalated DNA complex solved by MAD phasing.
Curr.Med.Chem., 7, 2000
9OW2
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BU of 9ow2 by Molmil
Crystal Structure of the Surface Protein (CD630_07380) from Clostridium difficile Strain 630
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, ...
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2025-06-02
Release date:2025-06-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of the Surface Protein (CD630_07380) from Clostridium difficile Strain 630.
To Be Published

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