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215L
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BU of 215l by Molmil
PROTEIN STRUCTURE PLASTICITY EXEMPLIFIED BY INSERTION AND DELETION MUTANTS IN T4 LYSOZYME
Descriptor: 2-HYDROXYETHYL DISULFIDE, T4 LYSOZYME
Authors:Vetter, I.R, Baase, W.A, Heinz, D.W, Xiong, J.-P, Snow, S, Matthews, B.W.
Deposit date:1996-09-23
Release date:1996-12-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Protein structural plasticity exemplified by insertion and deletion mutants in T4 lysozyme.
Protein Sci., 5, 1996
212L
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BU of 212l by Molmil
PROTEIN STRUCTURE PLASTICITY EXEMPLIFIED BY INSERTION AND DELETION MUTANTS IN T4 LYSOZYME
Descriptor: 2-HYDROXYETHYL DISULFIDE, T4 LYSOZYME
Authors:Vetter, I.R, Baase, W.A, Heinz, D.W, Xiong, J.-P, Snow, S, Matthews, B.W.
Deposit date:1996-09-23
Release date:1996-12-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Protein structural plasticity exemplified by insertion and deletion mutants in T4 lysozyme.
Protein Sci., 5, 1996
2XRU
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BU of 2xru by Molmil
AURORA-A T288E COMPLEXED WITH PHA-828300
Descriptor: 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE 6
Authors:Bindi, S, Fancelli, D, Alli, C, Berta, D, Bertrand, J.A, Cameron, A.D, Cappella, P, Carpinelli, P, Cervi, G, Croci, W, D'Anello, M, Forte, B, LauraGiorgini, M, Marsiglio, A, Moll, J, Pesenti, E, Pittala, V, Pulici, M, Riccardi-Sirtori, F, Roletto, F, Soncini, C, Storici, P, Varasi, M, Volpi, D, Zugnoni, P, Vianello, P.
Deposit date:2010-09-22
Release date:2010-09-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Thieno[3,2-C]Pyrazoles: A Novel Class of Aurora Inhibitors with Favorable Antitumor Activity.
Bioorg.Med.Chem., 18, 2010
4BWF
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BU of 4bwf by Molmil
Pex4p-Pex22p disulphide bond mutant
Descriptor: 1,2-ETHANEDIOL, PEROXISOME ASSEMBLY PROTEIN 22, UBIQUITIN-CONJUGATING ENZYME E2-21 KDA
Authors:Williams, C, van den Berg, M, Stanley, W.A, Wilmanns, M, Distel, B.
Deposit date:2013-07-01
Release date:2013-07-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:A Disulphide Bond in the E2 Enzyme Pex4P Modulates Ubiquitin-Conjugating Activity
Sci.Rep., 3, 2013
6FN4
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BU of 6fn4 by Molmil
Apo form of UIC2 Fab complex of human-mouse chimeric ABCB1 (ABCB1HM)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Apo form of Human-mouse chimeric ABCB1 (ABCB1HM) in complex with Antigen binding fragment of UIC2., ...
Authors:Alam, A, Locher, K.P.
Deposit date:2018-02-02
Release date:2018-02-21
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (4.14 Å)
Cite:Structure of a zosuquidar and UIC2-bound human-mouse chimeric ABCB1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3KNZ
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BU of 3knz by Molmil
Crystal structure of Putative sugar binding protein (NP_459565.1) from Salmonella typhimurium LT2 at 2.50 A resolution
Descriptor: 2-ETHOXYETHANOL, IMIDAZOLE, Putative sugar binding protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-11-12
Release date:2009-12-01
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Putative sugar binding protein (NP_459565.1) from Salmonella typhimurium LT2 at 2.50 A resolution
To be published
2XN2
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BU of 2xn2 by Molmil
Structure of alpha-galactosidase from Lactobacillus acidophilus NCFM with galactose
Descriptor: ALPHA-GALACTOSIDASE, GLYCEROL, IMIDAZOLE, ...
Authors:Fredslund, F, Abou Hachem, M, Larsen, R.J, Sorensen, P.G, Lo Leggio, L, Svensson, B.
Deposit date:2010-07-30
Release date:2011-08-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal Structure of Alpha-Galactosidase from Lactobacillus Acidophilus Ncfm: Insight Into Tetramer Formation and Substrate Binding.
J.Mol.Biol., 412, 2011
213L
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BU of 213l by Molmil
PROTEIN STRUCTURE PLASTICITY EXEMPLIFIED BY INSERTION AND DELETION MUTANTS IN T4 LYSOZYME
Descriptor: T4 LYSOZYME
Authors:Vetter, I.R, Baase, W.A, Heinz, D.W, Xiong, J.-P, Snow, S, Matthews, B.W.
Deposit date:1996-09-23
Release date:1996-12-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Protein structural plasticity exemplified by insertion and deletion mutants in T4 lysozyme.
Protein Sci., 5, 1996
5T9A
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BU of 5t9a by Molmil
Crystal structure of BuGH2Cwt
Descriptor: 1,2-ETHANEDIOL, Glycoside Hydrolase, SULFATE ION
Authors:Pluvinage, B, Boraston, A.B, Abbott, W.D.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
3KF5
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BU of 3kf5 by Molmil
Structure of invertase from Schwanniomyces occidentalis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Invertase
Authors:Sanz-Aparicio, J, Polo, A.
Deposit date:2009-10-27
Release date:2010-02-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and kinetic analysis of Schwanniomyces occidentalis invertase reveals a new oligomerization pattern and the role of its supplementary domain in substrate binding
J.Biol.Chem., 285, 2010
6K3Y
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BU of 6k3y by Molmil
G-quadruplex complex with cyclic dinucleotide 3'-3' cGAMP
Descriptor: 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, DNA (5'-D(*TP*TP*GP*GP*TP*GP*GP*GP*TP*GP*GP*GP*TP*GP*GP*GP*T)-3')
Authors:Winnerdy, F.R, Heddi, B, Phan, A.T.
Deposit date:2019-05-22
Release date:2020-01-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structures of a G-Quadruplex Bound to Linear- and Cyclic-Dinucleotides.
J.Am.Chem.Soc., 141, 2019
3K9T
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BU of 3k9t by Molmil
Crystal structure of putative peptidase (NP_348812.1) from CLOSTRIDIUM ACETOBUTYLICUM at 2.37 A resolution
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, CHLORIDE ION, IMIDAZOLE, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-10-16
Release date:2009-11-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Crystal structure of putative peptidase (NP_348812.1) from CLOSTRIDIUM ACETOBUTYLICUM at 2.37 A resolution
To be published
1N1Y
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BU of 1n1y by Molmil
Trypanosoma rangeli sialidase in complex with sialic acid
Descriptor: N-acetyl-alpha-neuraminic acid, Sialidase
Authors:Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M.
Deposit date:2002-10-21
Release date:2003-01-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The high resolution structures of free and inhibitor-bound Trypanosoma rangeli sialidase and its comparison with T. cruzi trans-sialidase
J.Mol.Biol., 325, 2003
6FT4
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BU of 6ft4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
Descriptor: 3-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Pike, A.C.W, Krojer, T, Conway, S.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C.
Deposit date:2018-02-20
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.
Bioorg.Med.Chem., 26, 2018
7K89
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BU of 7k89 by Molmil
Crystal structure of bovine RPE65 in complex with 4-fluoro-emixustat and palmitate
Descriptor: (1R)-3-amino-1-[3-(cyclohexylmethoxy)-4-fluorophenyl]propan-1-ol, FE (II) ION, PALMITIC ACID, ...
Authors:Kiser, P.D.
Deposit date:2020-09-26
Release date:2021-06-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy.
J.Med.Chem., 64, 2021
2A0B
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BU of 2a0b by Molmil
HISTIDINE-CONTAINING PHOSPHOTRANSFER DOMAIN OF ARCB FROM ESCHERICHIA COLI
Descriptor: HPT DOMAIN, ZINC ION
Authors:Kato, M, Mizuno, T, Shimizu, T, Hakoshima, T.
Deposit date:1998-04-02
Release date:1998-06-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Refined structure of the histidine-containing phosphotransfer (HPt) domain of the anaerobic sensor kinase ArcB from Escherichia coli at 1.57 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
7K8G
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BU of 7k8g by Molmil
Crystal structure of bovine RPE65 in complex with 4-fluoro-MB-004 and palmitate
Descriptor: (1R)-3-amino-1-{4-fluoro-3-[(2-propylpentyl)oxy]phenyl}propan-1-ol, FE (II) ION, PALMITIC ACID, ...
Authors:Kiser, P.D.
Deposit date:2020-09-27
Release date:2021-06-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy.
J.Med.Chem., 64, 2021
4R5Z
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BU of 4r5z by Molmil
Crystal structure of Rv3772 encoded aminotransferase
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Nasir, N, Anant, A, Vyas, R, Biswal, B.K.
Deposit date:2014-08-22
Release date:2015-08-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of Mycobacterium tuberculosis HspAT and ArAT reveal structural basis of their distinct substrate specificities
Sci Rep, 6, 2016
2ADA
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BU of 2ada by Molmil
ATOMIC STRUCTURE OF ADENOSINE DEAMINASE COMPLEXED WITH A TRANSITION-STATE ANALOG: UNDERSTANDING CATALYSIS AND IMMUNODEFICIENCY MUTATIONS
Descriptor: 6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOSIDE, ADENOSINE DEAMINASE, ZINC ION
Authors:Wilson, D.K, Quiocho, F.A.
Deposit date:1994-12-02
Release date:1995-03-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Atomic structure of adenosine deaminase complexed with a transition-state analog: understanding catalysis and immunodeficiency mutations.
Science, 252, 1991
5T3Q
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BU of 5t3q by Molmil
Crystal structure of the c-Met kinase domain in complex with a pyrazolone inhibitor
Descriptor: Hepatocyte growth factor receptor, N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
Authors:Bellon, S.F, Whittington, D.A, Long, A.M.
Deposit date:2016-08-26
Release date:2016-09-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of AMG337: Using structure guided scaffold hydridization to optimize physicochemical properties and target coverage of a MET kinase inhibitor
to be published
7Y8D
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BU of 7y8d by Molmil
Crystal structure of cp1 bound BCLxl
Descriptor: (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Bcl-2-like protein 1, cp1 peptide
Authors:Li, F.W, Liu, C, Wu, C.L, Wu, D.L.
Deposit date:2022-06-23
Release date:2023-11-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
7YB7
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BU of 7yb7 by Molmil
anti-apoptotic protein BCL-2-M12
Descriptor: Apoptosis regulator Bcl-2,Bcl-2-like protein 1, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide, cp2 peptide
Authors:Li, F.W, Liu, C, Wu, D.L.
Deposit date:2022-06-29
Release date:2023-11-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
6MAN
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BU of 6man by Molmil
Crystal structure of a DnaN sliding clamp DNA polymerase III subunit beta from Rickettsia bellii RML369-C
Descriptor: 1,2-ETHANEDIOL, Beta sliding clamp, THIOCYANATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-08-28
Release date:2018-09-05
Last modified:2025-10-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of a DnaN sliding clamp DNA polymerase III subunit beta from Rickettsia bellii RML369-C
To Be Published
5TB4
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BU of 5tb4 by Molmil
Structure of rabbit RyR1 (EGTA-only dataset, class 4)
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ZINC ION
Authors:Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
Deposit date:2016-09-11
Release date:2016-10-12
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
6MBF
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BU of 6mbf by Molmil
GphF Dehydratase 1
Descriptor: GphF Dehydratase 1, MAGNESIUM ION
Authors:Dodge, G.J, Smith, J.L.
Deposit date:2018-08-29
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.543 Å)
Cite:Molecular Basis for Olefin Rearrangement in the Gephyronic Acid Polyketide Synthase.
ACS Chem. Biol., 13, 2018

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