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6TJW
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BU of 6tjw by Molmil
Crystal structure of the haemagglutinin mutant (Gln226Leu, Del228) from an H10N7 seal influenza virus isolated in Germany
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
Deposit date:2019-11-27
Release date:2020-10-21
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
1ST2
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BU of 1st2 by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF BACILLUS AMYLOLIQUEFACIENS SUBTILISIN AT 1.8 ANGSTROMS AND AN ANALYSIS OF THE STRUCTURAL CONSEQUENCES OF PEROXIDE INACTIVATION
Descriptor: CALCIUM ION, SUBTILISIN BPN', SULFATE ION
Authors:Bott, R.
Deposit date:1990-03-21
Release date:1991-07-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The three-dimensional structure of Bacillus amyloliquefaciens subtilisin at 1.8 A and an analysis of the structural consequences of peroxide inactivation.
J.Biol.Chem., 263, 1988
6TPY
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BU of 6tpy by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
Descriptor: 1,2-ETHANEDIOL, 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one, Bromodomain-containing protein 4
Authors:Chung, C.
Deposit date:2019-12-15
Release date:2020-01-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
9MIB
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BU of 9mib by Molmil
206-9C09 Fab in complex with HIV-1 GT1.1 v4.1 SOSIP Env trimer and RM20A3 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 206-9C09 heavy chain Fv, ...
Authors:Phulera, S, Ozorowski, G, Ward, A.B.
Deposit date:2024-12-12
Release date:2025-05-21
Last modified:2025-08-13
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Precise targeting of HIV broadly neutralizing antibody precursors in humans.
Science, 389, 2025
9MI0
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BU of 9mi0 by Molmil
61-12A01 Fab in complex with HIV-1 GT1.1 v4.1 SOSIP Env trimer and RM20A3 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 61_12A01 heavy chain Fv, ...
Authors:Phulera, S, Ozorowski, G, Ward, A.B.
Deposit date:2024-12-12
Release date:2025-05-21
Last modified:2025-08-13
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Precise targeting of HIV broadly neutralizing antibody precursors in humans.
Science, 389, 2025
6R57
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BU of 6r57 by Molmil
Crystal structure of PPEP-1(E143A/Y178F/E184A) in complex with substrate peptide Ac-EVNPPVP-CONH2
Descriptor: ACE-GLU-VAL-ASN-PRO-PRO-VAL-LPD, Pro-Pro endopeptidase, ZINC ION
Authors:Pichlo, C, Baumann, U.
Deposit date:2019-03-24
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
J.Biol.Chem., 294, 2019
3LR8
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BU of 3lr8 by Molmil
Self-assembly of spider silk proteins is controlled by a pH-sensitive relay
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Major ampullate spidroin 1, ...
Authors:Askarieh, G, Hedhammar, H, Nordling, K, Rising, A, Johansson, J, Knight, S.D.
Deposit date:2010-02-10
Release date:2010-05-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Self-assembly of spider silk proteins is controlled by a pH-sensitive relay.
Nature, 465, 2010
5LLU
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BU of 5llu by Molmil
Structure of the thermostabilized EAAT1 cryst-II mutant in complex with L-ASP
Descriptor: ASPARTIC ACID, Excitatory amino acid transporter 1,Neutral amino acid transporter B(0),Excitatory amino acid transporter 1, SODIUM ION
Authors:Canul-Tec, J, Assal, R, Legrand, P, Reyes, N.
Deposit date:2016-07-28
Release date:2017-04-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Structure and allosteric inhibition of excitatory amino acid transporter 1.
Nature, 544, 2017
5TYM
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BU of 5tym by Molmil
alpha-esterase-7 in complex with [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid
Descriptor: Carboxylic ester hydrolase, [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid
Authors:Correy, G.J, Jackson, C.J.
Deposit date:2016-11-21
Release date:2017-12-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Overcoming insecticide resistance through computational inhibitor design.
Proc.Natl.Acad.Sci.USA, 116, 2019
7AJI
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BU of 7aji by Molmil
bovine ATP synthase dimer state3:state2
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-09-29
Release date:2021-02-03
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (11.4 Å)
Cite:Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
5DQ1
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BU of 5dq1 by Molmil
Endothiapepsin in complex with fragment 34
Descriptor: 1,2-ETHANEDIOL, 3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one, Endothiapepsin, ...
Authors:Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G.
Deposit date:2015-09-14
Release date:2016-09-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.489 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
7AJG
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BU of 7ajg by Molmil
bovine ATP synthase dimer state2:state3
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-09-29
Release date:2021-02-03
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (10.7 Å)
Cite:Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
8SMN
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BU of 8smn by Molmil
Xenopus laevis hyaluronan synthase 1, nascent HA polymer bound state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab15 heavy chain, Fab15 light chain, ...
Authors:Gorniak, I, Zimmer, J.
Deposit date:2023-04-26
Release date:2024-05-01
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into translocation and tailored synthesis of hyaluronan.
Nat.Struct.Mol.Biol., 32, 2025
4A8I
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BU of 4a8i by Molmil
Protein crystallization and microgravity: glucose isomerase crystals grown during the PCDF-PROTEIN mission
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, XYLOSE ISOMERASE
Authors:Decanniere, K, Patino-Lopez, L.-D, Sleutel, M, Evrard, C, Van De Weerdt, C, Haumont, E, Gavira, J.A, Otalora, F, Maes, D.
Deposit date:2011-11-21
Release date:2011-11-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Protein Crystallization and Microgravity: Glucose Isomerase Crystals Grown During the Pcdf-Protein Mission
To be Published
4J8P
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BU of 4j8p by Molmil
Crystal structure of a Putative flavoprotein (BACUNI_04544) from Bacteroides uniformis ATCC 8492 at 1.50 A resolution
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, Flavodoxin, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-02-14
Release date:2013-03-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a Putative flavoprotein (BACUNI_04544) from Bacteroides uniformis ATCC 8492 at 1.50 A resolution
To be published
6BZC
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BU of 6bzc by Molmil
Crystal Structure of Glucose-6-phosphate Isomerase from Elizabethkingia anophelis with bound Glucose-6-phosphate
Descriptor: 1,2-ETHANEDIOL, 6-O-phosphono-alpha-D-glucopyranose, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-12-22
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Glucose-6-phosphate Isomerase from Elizabethkingia anophelis with bound Glucose-6-phosphate
to be published
9DKZ
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BU of 9dkz by Molmil
In situ microED structure of the Eosinophil major basic protein-1
Descriptor: Bone marrow proteoglycan
Authors:Yang, J.E, Bingman, C.A, Mitchell, J, Mosher, D, Wright, E.R.
Deposit date:2024-09-10
Release date:2024-09-25
Last modified:2024-11-13
Method:ELECTRON CRYSTALLOGRAPHY (3.2 Å)
Cite:In situ crystalline structure of the human eosinophil major basic protein-1.
Biorxiv, 2024
5TOZ
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BU of 5toz by Molmil
JAK3 with covalent inhibitor PF-06651600
Descriptor: 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3
Authors:Vajdos, F.F.
Deposit date:2016-10-19
Release date:2016-11-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition.
ACS Chem. Biol., 11, 2016
6IRS
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BU of 6irs by Molmil
human LAT1-4F2hc complex incubated with JPH203
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, ...
Authors:Yan, R.H, Zhao, X, Lei, J.L, Zhou, Q.
Deposit date:2018-11-14
Release date:2019-03-27
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of the human LAT1-4F2hc heteromeric amino acid transporter complex.
Nature, 568, 2019
3LRD
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BU of 3lrd by Molmil
Self-assembly of spider silk proteins is controlled by a pH-sensitive relay
Descriptor: 1,2-ETHANEDIOL, Major ampullate spidroin 1, TRIETHYLENE GLYCOL
Authors:Askarieh, G, Hedhammar, H, Nordling, K, Rising, A, Johansson, J, Knight, S.D, Saenz, A, Casals, C.
Deposit date:2010-02-11
Release date:2010-05-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Self-assembly of spider silk proteins is controlled by a pH-sensitive relay.
Nature, 465, 2010
1PLX
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BU of 1plx by Molmil
NMR structure of Methionine-Enkephalin in fast tumbling Bicelles/DMPG
Descriptor: Met-enkephalin 1
Authors:Marcotte, I, Separovic, F, Auger, M, Gagne, S.M.
Deposit date:2003-06-09
Release date:2004-03-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A multidimensional (1)h NMR investigation of the conformation of methionine-enkephalin in fast-tumbling bicelles.
Biophys.J., 86, 2004
7BIV
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BU of 7biv by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: 1,2-ETHANEDIOL, 6-[[(1~{R})-1-(4-chlorophenyl)-7-fluoranyl-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-2-yl]methyl]pyridine-3-carbonitrile, DIMETHYL SULFOXIDE, ...
Authors:Williams, P.A.
Deposit date:2021-01-13
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7BIR
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BU of 7bir by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: 1-[[(1~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Williams, P.A.
Deposit date:2021-01-13
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
6BOV
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BU of 6bov by Molmil
Human APE1 substrate complex with an A/G mismatch adjacent the THF
Descriptor: 21-mer DNA, DI(HYDROXYETHYL)ETHER, DNA-(apurinic or apyrimidinic site) lyase
Authors:Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S.
Deposit date:2017-11-20
Release date:2018-08-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.975 Å)
Cite:Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches.
Acta Crystallogr D Struct Biol, 74, 2018
5AAD
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BU of 5aad by Molmil
Aurora A kinase bound to an imidazopyridine inhibitor (7a)
Descriptor: 7-(1-benzyl-1H-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine, AURORA KINASE A, SULFATE ION
Authors:McIntyre, P.J, Kosmopoulou, M, Bayliss, R.
Deposit date:2015-07-24
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015

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數據於2025-10-01公開中

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