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3EHN
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BU of 3ehn by Molmil
BT1043 with N-acetyllactosamine
Descriptor: SusD homolog, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose
Authors:Smith, T.J, Koropatkin, N.M.
Deposit date:2008-09-13
Release date:2009-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of a SusD homologue, BT1043, involved in mucin O-glycan utilization in a prominent human gut symbiont.
Biochemistry, 48, 2009
6XDJ
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BU of 6xdj by Molmil
Crystal Structure Analysis of MBP-SIN3
Descriptor: Maltodextrin-binding protein,Transcriptional regulatory protein SIN3, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2020-06-10
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure Analysis of MBP-SIN3
To be published
3EKQ
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BU of 3ekq by Molmil
Crystal structure of inhibitor saquinavir (SQV) in complex with multi-drug resistant HIV-1 protease (L63P/V82T/I84V) (referred to as ACT in paper)
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, PHOSPHATE ION, Protease
Authors:Prabu-Jeyabalan, M, King, N.M, Schiffer, C.A, Nalivaika, E.
Deposit date:2008-09-19
Release date:2009-09-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
6XFR
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BU of 6xfr by Molmil
Metallo-beta-lactamase from Pontibacter korlensis
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lactamase_B domain-containing protein, SODIUM ION, ...
Authors:Schenk, G, Schembri, M.A, Prombhul, S.
Deposit date:2020-06-16
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.608 Å)
Cite:Metallo-beta-lactamase from Pontibacter korlensis
To Be Published
3E64
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BU of 3e64 by Molmil
Fragment based discovery of JAK-2 inhibitors
Descriptor: 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide, Tyrosine-protein kinase JAK2
Authors:Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F.
Deposit date:2008-08-14
Release date:2008-10-14
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3E3D
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BU of 3e3d by Molmil
Structure of hen egg white lysozyme with the magic triangle I3C
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Lysozyme C
Authors:Beck, T, Gruene, T, Sheldrick, G.M.
Deposit date:2008-08-07
Release date:2008-10-28
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A magic triangle for experimental phasing of macromolecules
Acta Crystallogr.,Sect.D, 64, 2008
3E41
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BU of 3e41 by Molmil
Q138F HincII bound to GTCGAC and 5 mM Ca2+
Descriptor: 5'-D(*DGP*DCP*DCP*DGP*DGP*DTP*DCP*DGP*DAP*DCP*DCP*DGP*DGP*DC)-3', CALCIUM ION, SODIUM ION, ...
Authors:Horton, N.C, Babic, A.C, Little, E.J, Manohar, V.M.
Deposit date:2008-08-08
Release date:2008-08-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:DNA distortion and specificity in a sequence-specific endonuclease.
J.Mol.Biol., 383, 2008
6OHE
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BU of 6ohe by Molmil
Alpha-L-fucosidase AlfC D200A in complex with Fuca(1,6)GlcNAc
Descriptor: AlfC, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Klontz, E.H, Sundberg, E.J.
Deposit date:2019-04-05
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Structure and dynamics of an alpha-fucosidase reveal a mechanism for highly efficient IgG transfucosylation.
Nat Commun, 11, 2020
3E7L
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BU of 3e7l by Molmil
Crystal structure of sigma54 activator NtrC4's DNA binding domain
Descriptor: Transcriptional regulator (NtrC family), ZINC ION
Authors:Batchelor, J.D, Doucleff, M, Lee, C.-J, Matsubara, K, De Carlo, S, Heideker, J, Lamers, M.M, Pelton, J.G, Wemmer, D.E.
Deposit date:2008-08-18
Release date:2008-11-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Structure and regulatory mechanism of Aquifex aeolicus NtrC4: variability and evolution in bacterial transcriptional regulation.
J.Mol.Biol., 384, 2008
7Q4R
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BU of 7q4r by Molmil
Crystal structure of human HSP72-NBD in complex with fragment 1
Descriptor: 4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide, Heat shock 70 kDa protein 1A, MAGNESIUM ION, ...
Authors:Le Bihan, Y.V, Westwood, I.M, van Montfort, R.L.M.
Deposit date:2021-11-02
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery and Characterization of a Cryptic Secondary Binding Site in the Molecular Chaperone HSP70.
Molecules, 27, 2022
6OH8
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BU of 6oh8 by Molmil
Crystal structure of (E)-biformene synthase LrdC from Streptomyces sp. strain K155 in the dimeric form
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Labdane-related diterpene synthase
Authors:Centeno-Leija, S, Serrano-Posada, H.
Deposit date:2019-04-04
Release date:2019-04-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:The structure of (E)-biformene synthase provides insights into the biosynthesis of bacterial bicyclic labdane-related diterpenoids.
J.Struct.Biol., 207, 2019
6OJR
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BU of 6ojr by Molmil
Crystal structure of Sphingomonas paucimobilis TMY1009 apo-LsdA
Descriptor: GLYCEROL, Lignostilbene-alpha,beta-dioxygenase isozyme I, MAGNESIUM ION
Authors:Kuatsjah, E, Verstraete, M.M, Kobylarz, M.J, Liu, A.K.N, Murphy, M.E.P, Eltis, L.D.
Deposit date:2019-04-12
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of functionally important residues and structural features in a bacterial lignostilbene dioxygenase.
J.Biol.Chem., 294, 2019
3EIK
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BU of 3eik by Molmil
double stranded DNA binding protein
Descriptor: 1,2-ETHANEDIOL, TATA-box-binding protein
Authors:Cui, S, Wollmann, P, Moldt, M, Hopfner, K.-P.
Deposit date:2008-09-16
Release date:2009-09-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:structural studies of ecTBP
To be Published
3EDK
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BU of 3edk by Molmil
Structural base for cyclodextrin hydrolysis
Descriptor: CALCIUM ION, Cyclomaltodextrinase, Cyclooctakis-(1-4)-(alpha-D-glucopyranose), ...
Authors:Buedenbender, S, Schulz, G.E.
Deposit date:2008-09-03
Release date:2009-03-03
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural base for enzymatic cyclodextrin hydrolysis
J.Mol.Biol., 385, 2009
3NFS
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BU of 3nfs by Molmil
Crystal structure the Fab fragment of therapeutic antibody daclizumab
Descriptor: Heavy chain of Fab fragment of daclizumab, Light chain of Fab fragment of daclizumab
Authors:Yang, H, Wang, J, Du, J, Zhong, C, Guo, Y, Ding, J.
Deposit date:2010-06-10
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of immunosuppression by the therapeutic antibody daclizumab
Cell Res., 20, 2010
3EE8
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BU of 3ee8 by Molmil
Structure of NS1 effector domain
Descriptor: Non-structural protein 1
Authors:Xia, S, Monzingo, A.F, Robertus, J.D.
Deposit date:2008-09-04
Release date:2009-01-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of NS1A effector domain from the influenza A/Udorn/72 virus.
Acta Crystallogr.,Sect.D, 65, 2009
3EEE
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BU of 3eee by Molmil
Probing the function of heme distortion in the H-NOX family
Descriptor: CHLORIDE ION, Methyl-accepting chemotaxis protein, OXYGEN MOLECULE, ...
Authors:Olea Jr, C, Boon, E.M, Pellicena, P, Kuriyan, J, Marletta, M.A.
Deposit date:2008-09-04
Release date:2008-11-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Probing the function of heme distortion in the H-NOX family.
Acs Chem.Biol., 3, 2008
3N3A
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BU of 3n3a by Molmil
Ribonucleotide Reductase Dimanganese(II)-NrdF from Escherichia coli in Complex with Reduced NrdI
Descriptor: FLAVIN MONONUCLEOTIDE, MANGANESE (II) ION, Protein nrdI, ...
Authors:Boal, A.K, Cotruvo Jr, J.A, Stubbe, J, Rosenzweig, A.C.
Deposit date:2010-05-19
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural basis for activation of class Ib ribonucleotide reductase.
Science, 329, 2010
6OOX
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BU of 6oox by Molmil
The crystal structure of 4-isopropylbenzoate bound to T252A mutant of CYP199A4
Descriptor: 4-propan-2-ylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2019-04-23
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.774 Å)
Cite:Structural investigation of the interplay between the substrate and the acid-alcohol pair of residues in cytochrome P450 enzymes
To Be Published
3ENQ
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BU of 3enq by Molmil
Substrate and inhibitor complexes of ribose 5-phosphate isomerase A from Vibrio vulnificus YJ016
Descriptor: Ribose-5-phosphate isomerase A
Authors:Min, K, Kwon, T.H, Kim, T.G.
Deposit date:2008-09-25
Release date:2009-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of substrate and inhibitor complexes of ribose 5-phosphate isomerase A from Vibrio vulnificus YJ016
Mol.Cells, 27, 2009
3N39
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BU of 3n39 by Molmil
Ribonucleotide Reductase Dimanganese(II)-NrdF from Escherichia coli in Complex with NrdI
Descriptor: FLAVIN MONONUCLEOTIDE, MANGANESE (II) ION, Protein nrdI, ...
Authors:Boal, A.K, Cotruvo Jr, J.A, Stubbe, J, Rosenzweig, A.C.
Deposit date:2010-05-19
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for activation of class Ib ribonucleotide reductase.
Science, 329, 2010
3N96
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BU of 3n96 by Molmil
Crystal structure of human CRFR2 alpha extracellular domain in complex with Urocortin 1
Descriptor: Maltose binding protein-CRFR2 alpha, Urocortin, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Pal, K, Swaminathan, K, Pioszak, A.A, Xu, H.E.
Deposit date:2010-05-28
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis of ligand selectivity in human CRFR1 and CRFR2 alpha extracellular domain
To be Published
3E2M
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BU of 3e2m by Molmil
LFA-1 I domain bound to inhibitors
Descriptor: Integrin alpha-L, cis-4-{[2-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid
Authors:Silvian, L.F.
Deposit date:2008-08-05
Release date:2008-08-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3N7C
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BU of 3n7c by Molmil
Crystal structure of the RAN binding domain from the nuclear pore complex component NUP2 from Ashbya gossypii
Descriptor: ABR034Wp
Authors:Sampathkumar, P, Manglicmot, D, Gilmore, J, Bain, K, Gheyi, T, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-05-26
Release date:2010-06-16
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure of the RAN binding domain from the nuclear pore complex component NUP2 from Ashbya gossypii
To be Published
6O9H
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BU of 6o9h by Molmil
Mouse ECD with Fab1
Descriptor: Gastric inhibitory polypeptide receptor, Heavy chain, Light chain, ...
Authors:Min, X, Wang, Z.
Deposit date:2019-03-13
Release date:2020-01-22
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular mechanism of an antagonistic antibody against glucose-dependent insulinotropic polypeptide receptor.
Mabs, 12, 2020

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PDB entries from 2024-08-21

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