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6VZ9
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BU of 6vz9 by Molmil
Structure of proline utilization A with the FAD covalently modified by L-thiazolidine-2-carboxylate
Descriptor: (2S)-1,3-thiazolidine-2-carboxylic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
Authors:Campbell, A.C, Tanner, J.J.
Deposit date:2020-02-28
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Covalent Modification of the Flavin in Proline Dehydrogenase by Thiazolidine-2-Carboxylate.
Acs Chem.Biol., 15, 2020
3NWD
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BU of 3nwd by Molmil
Glycoprotein B from Herpes simplex virus type 1, Y179S mutant, low-pH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Stampfer, S.D, Lou, H, Cohen, G.H, Eisenberg, R.J, Heldwein, E.E.
Deposit date:2010-07-09
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8803 Å)
Cite:Structural basis of local, pH-dependent conformational changes in glycoprotein B from herpes simplex virus type 1.
J.Virol., 84, 2010
8GLD
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BU of 8gld by Molmil
Crystal structure of the peptidoglycan O-acetylesterase Ape1 (amino acids 22-392) from Campylobacter jejuni
Descriptor: ACETATE ION, SGNH hydrolase-type esterase domain-containing protein
Authors:Lin, C.S, Murphy, M.E.
Deposit date:2023-03-22
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanism of the CBM35 domain in assisting catalysis by Ape1, a Campylobacter jejuni O-acetyl esterase
To be published
8GKD
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BU of 8gkd by Molmil
Crystal structure of the peptidoglycan O-acetylesterase Ape1 (amino acids 41-392) from Campylobacter jejuni
Descriptor: ACETATE ION, SGNH hydrolase-type esterase domain-containing protein
Authors:Lin, C.S, Murphy, M.E.
Deposit date:2023-03-17
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of the CBM35 domain in assisting catalysis by Ape1, a Campylobacter jejuni O-acetyl esterase
To be published
7ZAP
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BU of 7zap by Molmil
Solution structure of RBM39 RRM1 bound to U1 snRNA stem loop 3
Descriptor: RNA-binding protein 39, U1 snRNA SL3
Authors:Campagne, S, Allain, F.H.
Deposit date:2022-03-22
Release date:2023-03-29
Last modified:2023-09-20
Method:SOLUTION NMR
Cite:Molecular basis of RNA-binding and autoregulation by the cancer-associated splicing factor RBM39.
Nat Commun, 14, 2023
3OPH
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BU of 3oph by Molmil
ESBL R164S mutant of SHV-1 beta-lactamase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Sampson, J.M, van den Akker, F.
Deposit date:2010-09-01
Release date:2011-07-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase.
Antimicrob.Agents Chemother., 55, 2011
3OPP
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BU of 3opp by Molmil
ESBL R164S mutant of SHV-1 beta-lactamase complexed with SA2-13
Descriptor: (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Sampson, J.M, van den Akker, F.
Deposit date:2010-09-01
Release date:2011-07-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase.
Antimicrob.Agents Chemother., 55, 2011
3OPL
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BU of 3opl by Molmil
ESBL R164H mutant SHV-1 beta-lactamase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Sampson, J.M, van den Akker, F.
Deposit date:2010-09-01
Release date:2011-07-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase.
Antimicrob.Agents Chemother., 55, 2011
3OPR
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BU of 3opr by Molmil
ESBL R164H mutant of SHV-1 beta-lactamase complexed to SA2-13
Descriptor: (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Sampson, J.M, van den Akker, F.
Deposit date:2010-09-01
Release date:2011-07-13
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase.
Antimicrob.Agents Chemother., 55, 2011
3P3D
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BU of 3p3d by Molmil
Crystal structure of the Nup53 RRM domain from Pichia guilliermondii
Descriptor: Nucleoporin 53
Authors:Sampathkumar, P, Shawn, C, Bain, K, Gilmore, J, 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:2010-10-04
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of the Nup53 RRM domain from Pichia guilliermondii
To be Published
3PVE
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BU of 3pve by Molmil
Crystal structure of the G2 domain of Agrin from Mus Musculus
Descriptor: Agrin, Agrin protein
Authors:Sampathkumar, P, Do, J, Bain, K, Freeman, J, 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:2010-12-07
Release date:2011-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the G2 domain of Agrin from Mus Musculus
To be Published
5JIX
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BU of 5jix by Molmil
PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-Br-cGMP
Descriptor: 1,2-ETHANEDIOL, 2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ...
Authors:Campbell, J.C, Kim, C.W.
Deposit date:2016-04-22
Release date:2017-05-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural Basis of Analog Specificity in PKG I and II.
ACS Chem. Biol., 12, 2017
5JIZ
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BU of 5jiz by Molmil
PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one, CALCIUM ION, ...
Authors:Campbell, J.C, Kim, C.W.
Deposit date:2016-04-22
Release date:2017-05-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP
To Be Published
6Z4K
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BU of 6z4k by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 6 in P21 space group
Descriptor: CHLORIDE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
3RP1
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BU of 3rp1 by Molmil
Crystal structure of Human LAIR-1 in C2 space group
Descriptor: Leukocyte-associated immunoglobulin-like receptor 1
Authors:Sampathkumar, P, Ramagopal, U.A, Yan, Q, Toro, R, Nathenson, S, Bonanno, J, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-04-26
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Human LAIR-1 in C2 space group
To be Published
6Z4J
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BU of 6z4j by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 5 in P21 space group
Descriptor: CHLORIDE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4M
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BU of 6z4m by Molmil
A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 10 in P21 space group
Descriptor: CHLORIDE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
3QSC
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BU of 3qsc by Molmil
The first crystal structure of a human telomeric G-quadruplex DNA bound to a metal-containing ligand (a copper complex)
Descriptor: 5'-D(*AP*GP*GP*GP*TP*(BRU)P*AP*GP*GP*GP*TP*T)-3', POTASSIUM ION, [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappaO}(2-)]copper (II)
Authors:Campbell, N.H, Abd Karim, N.H, Parkinson, G.N, Vilar, R, Neidle, S.
Deposit date:2011-02-21
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of structure-activity relationships between salphen metal complexes and human telomeric DNA quadruplexes.
J.Med.Chem., 55, 2012
3QSF
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BU of 3qsf by Molmil
The first crystal structure of a human telomeric G-quadruplex DNA bound to a metal-containing ligand (a nickel complex)
Descriptor: 5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*T)-3', POTASSIUM ION, [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappa O}(2-)]nickel (II)
Authors:Campbell, N.H, Abd Karim, N.H, Parkinson, G.N, Vilar, R, Neidle, S.
Deposit date:2011-02-21
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of structure-activity relationships between salphen metal complexes and human telomeric DNA quadruplexes.
J.Med.Chem., 55, 2012
3RBB
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BU of 3rbb by Molmil
HIV-1 NEF protein in complex with engineered HCK SH3 domain
Descriptor: 1,2-ETHANEDIOL, Protein Nef, Tyrosine-protein kinase HCK
Authors:Horenkamp, F.A, Schulte, A, Weyand, M, Geyer, M.
Deposit date:2011-03-29
Release date:2011-04-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Conformation of the Dileucine-Based Sorting Motif in HIV-1 Nef Revealed by Intermolecular Domain Assembly.
Traffic, 12, 2011
3NZ7
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BU of 3nz7 by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine ligand containing bis-3-fluoropyrrolidine end side chains
Descriptor: 3,6-bis(3-(3'-(S)-fluoropyrrolindino)propionamido)acridine, 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
Authors:Campbell, N.H, Neidle, S.
Deposit date:2010-07-16
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Fluorine in medicinal chemistry: beta-fluorination of peripheral pyrrolidines attached to acridine ligands affects their interactions with G-quadruplex DNA.
Org.Biomol.Chem., 9, 2011
3WLC
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BU of 3wlc by Molmil
Crystal structure of dimeric GCaMP6m
Descriptor: CALCIUM ION, Myosin light chain kinase, Green fluorescent protein, ...
Authors:Ding, J, Luo, A.F, Hu, L.Y, Wang, D.C, Shao, F.
Deposit date:2013-11-08
Release date:2014-01-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural basis of the ultrasensitive calcium indicator GCaMP6.
Sci China Life Sci, 57, 2014
6B76
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BU of 6b76 by Molmil
Crystal Structure of human NAMPT in complex with NVP-LVR596
Descriptor: (1S,2S)-N-{4-[(1S)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Weihofen, W.A, Thigale, S.
Deposit date:2017-10-03
Release date:2018-10-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors
To Be Published
4HKT
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BU of 4hkt by Molmil
Crystal structure of a putative myo-inositol dehydrogenase from Sinorhizobium meliloti 1021 (Target PSI-012312)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Inositol 2-dehydrogenase, ...
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-10-15
Release date:2012-12-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a putative myo-inositoldehydrogenase from Sinorhizobium meliloti 1021 (Target PSI-012312)
to be published
1KI4
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BU of 1ki4 by Molmil
CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-BROMOTHIENYLDEOXYURIDINE
Descriptor: 5-BROMOTHIENYLDEOXYURIDINE, SULFATE ION, THYMIDINE KINASE
Authors:Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Summers, W.C, Sanderson, M.R.
Deposit date:1998-05-18
Release date:1998-12-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998

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