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2JCJ
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BU of 2jcj by Molmil
Crystal structure of alpha-1,3 Galactosyltransferase (C-terminus truncated mutant-C3) in complex with UDP and Tris
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
Authors:Jamaluddin, H, Tumbale, P, Withers, S.G, Acharya, K.R, Brew, K.
Deposit date:2006-12-25
Release date:2007-05-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Conformational Changes Induced by Binding Udp-2F-Galactose to Alpha-1,3 Galactosyltransferase-Implications for Catalysis.
J.Mol.Biol., 369, 2007
8QX8
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BU of 8qx8 by Molmil
Endosomal membrane tethering complex CORVET
Descriptor: E3 ubiquitin-protein ligase PEP5, Vacuolar membrane protein PEP3, Vacuolar protein sorting-associated protein 16, ...
Authors:Shvarev, D, Ungermann, C, Moeller, A.
Deposit date:2023-10-23
Release date:2024-07-03
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structure of the endosomal CORVET tethering complex.
Nat Commun, 15, 2024
6YYH
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BU of 6yyh by Molmil
Crystal structure of beta-D-xylosidase from Dictyoglomus thermophilum in ligand-free form
Descriptor: 1,2-ETHANEDIOL, Beta-xylosidase, CITRIC ACID, ...
Authors:Lafite, P, Daniellou, R, Bretagne, D.
Deposit date:2020-05-05
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Crystal structure of Dictyoglomus thermophilum beta-d-xylosidase DtXyl unravels the structural determinants for efficient notoginsenoside R1 hydrolysis.
Biochimie, 181, 2020
5ZH2
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BU of 5zh2 by Molmil
CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-5
Descriptor: (3R)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
Authors:Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A.
Deposit date:2018-03-11
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite
J. Med. Chem., 61, 2018
4OHM
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BU of 4ohm by Molmil
Human GKRP bound to AMG-0771 and sorbitol-6-phosphate
Descriptor: (2S)-2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-3,3,3-trifluoropropane-1,2-diol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:Jordan, S.R, Chmait, S.
Deposit date:2014-01-17
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 3. Structure-activity relationships within the aryl carbinol region of the N-arylsulfonamido-N'-arylpiperazine series.
J.Med.Chem., 57, 2014
1C8C
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BU of 1c8c by Molmil
CRYSTAL STRUCTURES OF THE CHROMOSOMAL PROTEINS SSO7D/SAC7D BOUND TO DNA CONTAINING T-G MISMATCHED BASE PAIRS
Descriptor: 5'-D(*GP*TP*GP*AP*TP*CP*GP*C)-3', DNA-BINDING PROTEIN 7A
Authors:Su, S, Gao, Y.-G, Robinson, H, Liaw, Y.-C, Edmondson, S.P, Shriver, J.W, Wang, A.H.-J.
Deposit date:2000-05-04
Release date:2001-05-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structures of the chromosomal proteins Sso7d/Sac7d bound to DNA containing T-G mismatched base-pairs.
J.Mol.Biol., 303, 2000
6H0F
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BU of 6h0f by Molmil
Structure of DDB1-CRBN-pomalidomide complex bound to IKZF1(ZF2)
Descriptor: DNA damage-binding protein 1,DNA damage-binding protein 1,DNA damage-binding protein 1,DNA damage-binding protein 1, DNA-binding protein Ikaros, Protein cereblon, ...
Authors:Petzold, G, Bunker, R.D, Thoma, N.H.
Deposit date:2018-07-09
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Defining the human C2H2 zinc finger degrome targeted by thalidomide analogs through CRBN.
Science, 362, 2018
1CA6
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BU of 1ca6 by Molmil
INTERCALATION SITE OF HYPERTHERMOPHILE CHROMOSOMAL PROTEIN SSO7D/SAC7D BOUND TO DNA
Descriptor: 5'-D(*GP*TP*GP*AP*TP*CP*GP*C)-3', CHROMOSOMAL PROTEIN SAC7D
Authors:Su, S, Gao, Y.-G, Robinson, H, Shriver, J.W, Wang, A.H.-J.
Deposit date:1999-02-23
Release date:2000-02-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the chromosomal proteins Sso7d/Sac7d bound to DNA containing T-G mismatched base-pairs
J.Mol.Biol., 303, 2000
4O89
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BU of 4o89 by Molmil
Crystal structure of RtcA, the RNA 3'-terminal phosphate cyclase from Pyrococcus horikoshii.
Descriptor: CITRIC ACID, RNA 3'-terminal phosphate cyclase
Authors:Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T.
Deposit date:2013-12-26
Release date:2014-09-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of RNA 3'-phosphate cyclase bound to substrate RNA.
Rna, 20, 2014
1BQ2
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BU of 1bq2 by Molmil
E. COLI THYMIDYLATE SYNTHASE MUTANT N177A
Descriptor: PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Reyes, C.L, Sage, C.R, Rutenber, E.E, Finer-Moore, J.S, Stroud, R.M.
Deposit date:1998-08-20
Release date:1999-04-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inactivity of N229A thymidylate synthase due to water-mediated effects: isolating a late stage in methyl transfer.
J.Mol.Biol., 284, 1998
1WN6
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BU of 1wn6 by Molmil
Crystal Structure of Blasticidin S Deaminase (BSD) Complexed with Tetrahedral Intermediate of Blasticidin S
Descriptor: 6-(4-AMINO-4-HYDROXY-2-OXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-3-[3-AMINO-5-(N-METHYL-GUANIDINO)-PENT ANOYLAMINO]-3,6-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID, ARSENIC, Blasticidin-S deaminase, ...
Authors:Kumasaka, T, Yamamoto, M, Furuichi, M, Nakasako, M, Kimura, M, Yamaguchi, I, Ueki, T.
Deposit date:2004-07-27
Release date:2005-10-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of blasticidin S deaminase (BSD): implications for dynamic properties of catalytic zinc
J.Biol.Chem., 282, 2007
6H0G
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BU of 6h0g by Molmil
Structure of the DDB1-CRBN-pomalidomide complex bound to ZNF692(ZF4)
Descriptor: DNA damage-binding protein 1,DNA damage-binding protein 1,DNA damage-binding protein 1,DDB1 (DNA damage binding protein 1),DNA damage-binding protein 1,DNA damage-binding protein 1,DNA damage-binding protein 1, Protein cereblon, S-Pomalidomide, ...
Authors:Bunker, R.D, Petzold, G, Thoma, N.H.
Deposit date:2018-07-09
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4.25 Å)
Cite:Defining the human C2H2 zinc finger degrome targeted by thalidomide analogs through CRBN.
Science, 362, 2018
6DM0
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BU of 6dm0 by Molmil
Open state GluA2 in complex with STZ and blocked by IEM-1460, after micelle signal subtraction
Descriptor: CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit, ...
Authors:Twomey, E.C, Yelshanskaya, M.V, Vassilevski, A.A, Sobolevsky, A.I.
Deposit date:2018-06-04
Release date:2018-08-22
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Mechanisms of Channel Block in Calcium-Permeable AMPA Receptors.
Neuron, 99, 2018
4U6Y
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BU of 4u6y by Molmil
Crystal Structure of HLA-A*0201 in complex with FLNDK, a 15 mer self-peptide
Descriptor: Beta-2-microglobulin, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Gras, S, Chabrol, E, Rossjohn, J.
Deposit date:2014-07-30
Release date:2014-12-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.467 Å)
Cite:Naturally Processed Non-canonical HLA-A*02:01 Presented Peptides.
J.Biol.Chem., 290, 2015
4ZJ1
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BU of 4zj1 by Molmil
Crystal Structure of p-acrylamido-phenylalanine modified TEM1 beta-lactamase from Escherichia coli : V216AcrF mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase TEM, DI(HYDROXYETHYL)ETHER, ...
Authors:Xiao, H, Nasertorabi, F, Choi, S, Han, G.W, Reed, S.A, Stevens, R.C, Schultz, P.G.
Deposit date:2015-04-28
Release date:2015-05-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Exploring the potential impact of an expanded genetic code on protein function.
Proc.Natl.Acad.Sci.USA, 112, 2015
3SEM
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BU of 3sem by Molmil
SEM5 SH3 DOMAIN COMPLEXED WITH PEPTOID INHIBITOR
Descriptor: SEX MUSCLE ABNORMAL PROTEIN 5, SH3 PEPTOID INHIBITOR
Authors:Nguyen, J.T, Turck, C.W, Cohen, F.E, Zuckermann, R.N, Lim, W.A.
Deposit date:1998-11-02
Release date:1999-01-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Exploiting the basis of proline recognition by SH3 and WW domains: design of N-substituted inhibitors.
Science, 282, 1998
3LK4
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BU of 3lk4 by Molmil
Crystal structure of CapZ bound to the uncapping motif from CD2AP
Descriptor: CD2-associated protein, F-actin-capping protein subunit alpha-1, F-actin-capping protein subunit beta isoforms 1 and 2
Authors:Hernandez-Valladares, M, Kim, T, Kannan, B, Tung, A, Cooper, J.A, Robinson, R.C.
Deposit date:2010-01-27
Release date:2010-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural characterization of a capping protein interaction motif defines a family of actin filament regulators.
Nat.Struct.Mol.Biol., 17, 2010
1JIN
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BU of 1jin by Molmil
P450eryF/ketoconazole
Descriptor: CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE, CYTOCHROME P450 107A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cupp-Vickery, J.R, Garcia, C, Hofacre, A, McGee-Estrada, K.
Deposit date:2001-07-02
Release date:2001-10-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ketoconazole-induced conformational changes in the active site of cytochrome P450eryF.
J.Mol.Biol., 311, 2001
4OXC
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BU of 4oxc by Molmil
Crystal structure of XIAP BIR1 domain
Descriptor: E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Milani, M, Cossu, F, Mastrangelo, E.
Deposit date:2014-02-05
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:NF023 binding to XIAP-BIR1: Searching drugs for regulation of the NF-kappa B pathway.
Proteins, 83, 2015
3LC4
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BU of 3lc4 by Molmil
Human Cytochrome P450 2E1 in Complex with Omega-Imidazolyl-Dodecanoic Acid
Descriptor: 12-(1H-imidazol-1-yl)dodecanoic acid, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Scott, E.E, Porubsky, P.R.
Deposit date:2010-01-09
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode.
J.Biol.Chem., 285, 2010
7LPS
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BU of 7lps by Molmil
Crystal structure of DDB1-CRBN-ALV1 complex bound to Helios (IKZF2 ZF2)
Descriptor: 3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Nowak, R.P, Fischer, E.S.
Deposit date:2021-02-12
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.78 Å)
Cite:Acute pharmacological degradation of Helios destabilizes regulatory T cells.
Nat.Chem.Biol., 17, 2021
4U6X
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BU of 4u6x by Molmil
Crystal Structure of HLA-A*0201 in complex with ALQDA, a 15 mer self-peptide
Descriptor: ALQDA peptide, ALQDAGDSSRKEYFI, Beta-2-microglobulin, ...
Authors:Gras, S, Chabrol, E, Rossjohn, J.
Deposit date:2014-07-30
Release date:2014-12-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Naturally Processed Non-canonical HLA-A*02:01 Presented Peptides.
J.Biol.Chem., 290, 2015
8PIV
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BU of 8piv by Molmil
Homomeric GluA2 flip R/G-unedited Q/R-edited F231A mutant in tandem with TARP gamma-2, desensitized conformation 1
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Glutamate receptor, ...
Authors:Zhang, D, Krieger, J.M, Yamashita, K, Greger, I.H.
Deposit date:2023-06-22
Release date:2023-08-30
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor.
Nature, 621, 2023
3IC2
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BU of 3ic2 by Molmil
Crystal Structure of liganded hemoglobin in complex with a potent antisickling agent, INN-266
Descriptor: 4-[(5-methoxy-2-methylphenoxy)methyl]pyridine, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Safo, M.K, Musayev, F.N, Gandhi, A.K, Jorge, P.
Deposit date:2009-07-17
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and in Vitro Chracterization of Pyridyl Derivatives of Benzaldehydes: Highly Potent Antisickling Agents
To be Published
5X8F
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BU of 5x8f by Molmil
Ternary complex structure of a double mutant I454RA456K of o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis bound with AMP and its product analogue OSB-NCoA at 1.76 angstrom
Descriptor: 2-succinylbenzoate--CoA ligase, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
Authors:Chen, Y, Guo, Z.
Deposit date:2017-03-02
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.763 Å)
Cite:Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode
J. Biol. Chem., 292, 2017

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