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1NBQ
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BU of 1nbq by Molmil
Crystal Structure of Human Junctional Adhesion Molecule Type 1
Descriptor: Junctional adhesion molecule 1
Authors:Prota, A.E, Campbell, J.A, Schelling, P, Forrest, J.C, Watson, M.J, Peters, T.R, Aurrand-Lions, M, Imhof, B.A, Dermody, T.S, Stehle, T.
Deposit date:2002-12-03
Release date:2003-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of human junctional adhesion molecule 1: Implications for reovirus binding
Proc.Natl.Acad.Sci.USA, 100, 2003
1NHC
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BU of 1nhc by Molmil
Structural insights into the processivity of endopolygalacturonase I from Aspergillus niger
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:van Pouderoyen, G, Snijder, H.J, Benen, J.A, Dijkstra, B.W.
Deposit date:2002-12-19
Release date:2003-11-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the processivity of endopolygalacturonase I from Aspergillus niger.
Febs Lett., 554, 2003
1NI3
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BU of 1ni3 by Molmil
Structure of the Schizosaccharomyces pombe YchF GTPase
Descriptor: SULFATE ION, YchF GTP-binding protein
Authors:Kniewel, R.K, Buglino, J.A, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2002-12-20
Release date:2003-01-07
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the S. pombe YchF GTP-binding protein
To be Published
1N7S
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BU of 1n7s by Molmil
High Resolution Structure of a Truncated Neuronal SNARE Complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, SNAP-25A, ...
Authors:Ernst, J.A, Brunger, A.T.
Deposit date:2002-11-16
Release date:2002-12-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:High Resolution Structure, Stability, and Synaptotagmin Binding of a Truncated Neuronal SNARE Complex
J.Biol.Chem., 278, 2003
1N83
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BU of 1n83 by Molmil
Crystal Structure of the complex between the Orphan Nuclear Hormone Receptor ROR(alpha)-LBD and Cholesterol
Descriptor: CHOLESTEROL, Nuclear receptor ROR-alpha
Authors:Kallen, J.A, Schlaeppi, J.M, Bitsch, F, Geisse, S, Geiser, M, Delhon, I, Fournier, B.
Deposit date:2002-11-19
Release date:2002-12-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:X-ray Structure of hROR(alpha) LBD at 1.63A: Structural and Functional data that Cholesterol or a Cholesterol derivative is the natural ligand of ROR(alpha)
Structure, 10, 2002
4G6P
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BU of 4g6p by Molmil
Minimal Hairpin Ribozyme in the Precatalytic State with A38P Variation
Descriptor: COBALT HEXAMMINE(III), Loop A Substrate strand, Loop A and Loop B Ribozyme strand, ...
Authors:Liberman, J.A, Jenkins, J.L, Krucinska, J, Wedekind, J.E.
Deposit date:2012-07-19
Release date:2012-08-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.641 Å)
Cite:A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis.
J.Am.Chem.Soc., 134, 2012
4G6R
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BU of 4g6r by Molmil
Minimal Hairpin Ribozyme in the Transition State with G8I Variation
Descriptor: Loop A Ribozyme strand, Loop A Substrate strand, Loop B Ribozyme Strand, ...
Authors:Liberman, J.A, Jenkins, J.L, Krucinska, J, Wedekind, J.E.
Deposit date:2012-07-19
Release date:2012-08-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.832 Å)
Cite:A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis.
J.Am.Chem.Soc., 134, 2012
4G6S
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BU of 4g6s by Molmil
Minimal Hairpin Ribozyme in the Transition State with A38P Variation
Descriptor: COBALT HEXAMMINE(III), Loop A Substrate strand, Loop A and Loop B Ribozyme strand, ...
Authors:Liberman, J.A, Jenkins, J.L, Krucinska, J, Wedekind, J.E.
Deposit date:2012-07-19
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis.
J.Am.Chem.Soc., 134, 2012
4FST
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BU of 4fst by Molmil
Crystal Structure of the CHK1
Descriptor: 4-[(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethynyl]-2-methoxyphenol, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FUF
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BU of 4fuf by Molmil
Crystal Structure of the Urokinase
Descriptor: 8-(3-bromopropoxy)-7-methoxynaphthalene-2-carboximidamide, ACETATE ION, GLYCEROL, ...
Authors:Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
Deposit date:2012-06-28
Release date:2012-08-22
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Urokinase
to be published
4FT7
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BU of 4ft7 by Molmil
Crystal Structure of the CHK1
Descriptor: 1-{5-bromo-2-[(3R)-3-hydroxypiperidin-1-yl]phenyl}-3-(5-cyanopyrazin-2-yl)urea, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FW4
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BU of 4fw4 by Molmil
Crystal Structure of the LpxC in complex with N-[(1S,2R)-2-HYDROXY-1-(HYDROXYCARBAMOYL)PROPYL]-4-(4-PHENYLBUTA-1,3-DIYN-1-YL)BENZAMIDE inhibitor
Descriptor: ACETATE ION, GLYCEROL, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, ...
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-29
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal Structure of the LpxC
to be published
4FTJ
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BU of 4ftj by Molmil
Crystal Structure of the CHK1
Descriptor: ISOPROPYL ALCOHOL, SULFATE ION, Serine/threonine-protein kinase Chk1, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FTS
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BU of 4fts by Molmil
Crystal structure of the N363T mutant of the Flock House virus capsid
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Speir, J.A, Chen, Z, Reddy, V.S, Johnson, J.E.
Deposit date:2012-06-28
Release date:2012-08-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural study of virus assembly intermediates reveals maturation event sequence and a staging position for externalized lytic peptides
to be published, 2012
4FX3
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BU of 4fx3 by Molmil
Crystal Structure of the CDK2/Cyclin A complex with oxindole inhibitor
Descriptor: (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Cyclin-A2, ...
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-07-02
Release date:2013-05-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structure of the CDK2/Cyclin A complex with oxindole inhibitor
To be Published
4G36
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BU of 4g36 by Molmil
Photinus pyralis luciferase in the adenylate-forming conformation bound to DLSA
Descriptor: 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE, Luciferin 4-monooxygenase
Authors:Sundlov, J.A, Branchini, B.R, Gulick, A.M.
Deposit date:2012-07-13
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.624 Å)
Cite:Crystal structure of firefly luciferase in a second catalytic conformation supports a domain alternation mechanism.
Biochemistry, 51, 2012
4G4L
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BU of 4g4l by Molmil
Crystal structure of the de novo designed peptide alpha4tbA6
Descriptor: ACETYL GROUP, DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, ...
Authors:Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G.
Deposit date:2012-07-16
Release date:2012-10-31
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Comparison of the structures and stabilities of coiled-coil proteins containing hexafluoroleucine and t-butylalanine provides insight into the stabilizing effects of highly fluorinated amino acid side-chains.
Protein Sci., 21, 2012
4G81
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BU of 4g81 by Molmil
Crystal structure of a hexonate dehydrogenase ortholog (target efi-506402 from salmonella enterica, unliganded structure
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Vetting, M.W, Wichelecki, D, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-07-20
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a hexonate dehydrogenase ortholog (target efi-506402 from salmonella enterica, unliganded structure
To be Published
4G8O
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BU of 4g8o by Molmil
Crystal Structure of a novel small molecule inactivator bound to plasminogen activator inhibitor-1
Descriptor: (2S)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate), 1,2-ETHANEDIOL, Plasminogen activator inhibitor 1, ...
Authors:Stuckey, J.A, Lawrence, D.A, Li, S.-H.
Deposit date:2012-07-23
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Mechanistic characterization and crystal structure of a small molecule inactivator bound to plasminogen activator inhibitor-1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4GBP
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BU of 4gbp by Molmil
Crystal Structure of BBBB+UDP+Gal at pH 10 with MPD as the cryoprotectant
Descriptor: Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
Authors:Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V.
Deposit date:2012-07-27
Release date:2013-12-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state.
Glycobiology, 24, 2014
4FSQ
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BU of 4fsq by Molmil
Crystal Structure of the CHK1
Descriptor: 4'-(6,7-dimethoxyindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol, SULFATE ION, Serine/threonine-protein kinase Chk1
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FT0
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BU of 4ft0 by Molmil
Crystal Structure of the CHK1
Descriptor: 2-methoxy-4-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid, ISOPROPYL ALCOHOL, SULFATE ION, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FTT
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BU of 4ftt by Molmil
Crystal Structure of the CHK1
Descriptor: ISOPROPYL ALCOHOL, SULFATE ION, Serine/threonine-protein kinase Chk1, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-28
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FUJ
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BU of 4fuj by Molmil
Crystal Structure of the Urokinase
Descriptor: 6-{(E)-2-[3-(2-hydroxyethyl)phenyl]ethenyl}naphthalene-2-carboximidamide, ACETATE ION, GLYCEROL, ...
Authors:Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
Deposit date:2012-06-28
Release date:2012-08-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of the Urokinase
TO BE PUBLISHED
4FW5
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BU of 4fw5 by Molmil
Crystal Structure of the LpxC in complex with 4'-BROMO-N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]BIPHENYL-4-CARBOXAMIDE inhibitor
Descriptor: 4'-bromo-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide, ACETATE ION, GLYCEROL, ...
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-29
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure of the LpxC
to be published

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