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PDB: 35 results

1W1I
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Crystal structure of dipeptidyl peptidase IV (DPPIV or CD26) in complex with adenosine deaminase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Weihofen, W.A, Liu, J, Reutter, W, Saenger, W, Fan, H.
Deposit date:2004-06-22
Release date:2004-09-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Crystal structure of CD26/dipeptidyl-peptidase IV in complex with adenosine deaminase reveals a highly amphiphilic interface.
J. Biol. Chem., 279, 2004
6USY
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BU of 6usy by Molmil
COAGULATION FACTOR XI CATALYTIC DOMAIN (C123S) IN COMPLEX WITH NVP-XIV936
Descriptor: 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid, Coagulation factor XIa light chain
Authors:Weihofen, W.A, Clark, K, Nunes, S.
Deposit date:2019-10-28
Release date:2020-07-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
6PEB
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BU of 6peb by Molmil
Crystal Structure of human NAMPT in complex with NVP-LTM976
Descriptor: N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Weihofen, W.A.
Deposit date:2019-06-20
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Scaffold Morphing Identifies 3-Pyridyl Azetidine Ureas as Inhibitors of Nicotinamide Phosphoribosyltransferase (NAMPT).
Acs Med.Chem.Lett., 10, 2019
6M8Q
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BU of 6m8q by Molmil
Cleavage and Polyadenylation Specificity Factor Subunit 3 (CPSF3) in complex with NVP-LTM531
Descriptor: Cleavage and polyadenylation specificity factor subunit 3, N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-L-phenylalanine, PHOSPHATE ION, ...
Authors:Weihofen, W.A, Salcius, M, Michaud, G.
Deposit date:2018-08-22
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:CPSF3-dependent pre-mRNA processing as a druggable node in AML and Ewing's sarcoma.
Nat.Chem.Biol., 16, 2020
6ATB
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BU of 6atb by Molmil
Crystal Structure of human NAMPT in complex with NVP-LOD812
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-N'-[(pyridin-3-yl)methyl]urea, ...
Authors:Weihofen, W.A, Thigale, S.
Deposit date:2017-08-28
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors
To Be Published
6AZJ
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BU of 6azj by Molmil
Crystal Structure of human NAMPT in complex with NVP-LQN520
Descriptor: (1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide, Nicotinamide phosphoribosyltransferase
Authors:Weihofen, W.A, Thigale, S.
Deposit date:2017-09-11
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors
To Be Published
6B75
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BU of 6b75 by Molmil
Crystal Structure of human NAMPT in complex with NVP-LOQ594
Descriptor: 4-[(piperazin-1-yl)methyl]-N-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide, Nicotinamide phosphoribosyltransferase
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 (2.53 Å)
Cite:Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors
To Be Published
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
2WDT
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BU of 2wdt by Molmil
Crystal structure of Plasmodium falciparum UCHL3 in complex with the suicide inhibitor UbVME
Descriptor: CHLORIDE ION, UBIQUITIN, UBIQUITIN CARBOXYL-TERMINAL HYDROLASE L3
Authors:Weihofen, W.A, Artavanis-Tsakonas, K, Gaudet, R, Ploegh, H.L.
Deposit date:2009-03-26
Release date:2009-12-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization and Structural Studies of the Plasmodium Falciparum Ubiquitin and Nedd8 Hydrolase Uchl3.
J.Biol.Chem., 285, 2010
2WE6
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BU of 2we6 by Molmil
Crystal Structure of Plasmodium falciparum Ubiquitin Carboxyl- terminal Hydrolase 3 (UCHL3)
Descriptor: UBIQUITIN CARBOXYL-TERMINAL HYDROLASE L3
Authors:Weihofen, W.A, Artavanis-Tsakonas, K, Gaudet, R, Ploegh, H.L.
Deposit date:2009-03-27
Release date:2009-12-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Characterization and Structural Studies of the Plasmodium Falciparum Ubiquitin and Nedd8 Hydrolase Uchl3.
J.Biol.Chem., 285, 2010
2BGN
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BU of 2bgn by Molmil
HIV-1 Tat protein derived N-terminal nonapeptide Trp2-Tat(1-9) bound to the active site of Dipeptidyl peptidase IV (CD26)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Weihofen, W.A, Liu, J, Reutter, W, Saenger, W, Fan, H.
Deposit date:2005-01-03
Release date:2005-01-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Crystal Structures of HIV-1 Tat-Derived Nonapeptides Tat-(1-9) and Trp2-Tat-(1-9) Bound to the Active Site of Dipeptidyl-Peptidase Iv (Cd26)
J.Biol.Chem., 280, 2005
2BGR
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BU of 2bgr by Molmil
Crystal structure of HIV-1 Tat derived nonapeptides Tat(1-9) bound to the active site of Dipeptidyl peptidase IV (CD26)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Weihofen, W.A, Liu, J, Reutter, W, Saenger, W, Fan, H.
Deposit date:2005-01-04
Release date:2005-01-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of HIV-1 Tat-Derived Nonapeptides Tat-(1-9) and Trp2-Tat-(1-9) Bound to the Active Site of Dipeptidyl-Peptidase Iv (Cd26)
J.Biol.Chem., 280, 2005
2BNZ
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BU of 2bnz by Molmil
Structural basis for cooperative binding of Ribbon-Helix-Helix Omega repressor to inverted DNA heptad repeats
Descriptor: 5'-D(*CP*TP*AP*AP*TP*CP*AP*CP*TP*TP *GP*TP*GP*AP*TP*TP*CP*G)-3', 5'-D(*GP*AP*AP*TP*CP*AP*CP*AP*AP*GP *TP*GP*AP*TP*TP*AP*GP*C)-3', ORF OMEGA
Authors:Weihofen, W.A, Cicek, A, Pratto, F, Alonso, J.C, Saenger, W.
Deposit date:2005-04-06
Release date:2006-03-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of Omega Repressors Bound to Direct and Inverted DNA Repeats Explain Modulation of Transcription.
Nucleic Acids Res., 34, 2006
2CH5
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BU of 2ch5 by Molmil
Crystal structure of human N-acetylglucosamine kinase in complex with N-acetylglucosamine
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Weihofen, W.A, Berger, M, Chen, H, Saenger, W, Hinderlich, S.
Deposit date:2006-03-13
Release date:2006-09-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of Human N-Acetylglucosamine Kinase in Two Complexes with N-Acetylglucosamine and with Adp/Glucose: Insights Into Substrate Specificity and Regulation.
J.Mol.Biol., 364, 2006
2CAX
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BU of 2cax by Molmil
STRUCTURAL BASIS FOR COOPERATIVE BINDING OF RIBBON-HELIX-HELIX REPRESSOR OMEGA TO MUTATED DIRECT DNA HEPTAD REPEATS
Descriptor: 5'-D(*CP*TP*TP*GP*TP*GP*AP*CP*TP*TP *GP*TP*GP*AP*TP*TP*CP*G)-3', 5'-D(*GP*AP*AP*TP*CP*AP*CP*AP*AP*AP *TP*CP*AP*CP*AP*AP*G)-3', 5'-D(*GP*AP*AP*TP*CP*AP*CP*AP*AP*GP *TP*CP*AP*CP*AP*AP*GP*C)-3', ...
Authors:Weihofen, W.A, Cicek, A, Pratto, F, Alonso, J.C, Saenger, W.
Deposit date:2005-12-23
Release date:2006-03-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of Omega Repressors Bound to Direct and Inverted DNA Repeats Explain Modulation of Transcription.
Nucleic Acids Res., 34, 2006
2BNW
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BU of 2bnw by Molmil
Structural basis for cooperative binding of Ribbon-Helix-Helix Omega repressor to direct DNA heptad repeats
Descriptor: 5'-D(*CP*TP*TP*GP*TP*GP*AP*TP*TP*TP *GP*TP*GP*AP*TP*TP*CP*G)-3', 5'-D(*GP*AP*AP*TP*CP*AP*CP*AP*AP*AP *TP*CP*AP*CP*AP*AP*GP*C)-3', ORF OMEGA
Authors:Weihofen, W.A, Cicek, A, Pratto, F, Alonso, J.C, Saenger, W.
Deposit date:2005-04-05
Release date:2006-03-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structures of Omega Repressors Bound to Direct and Inverted DNA Repeats Explain Modulation of Transcription.
Nucleic Acids Res., 34, 2006
2CH6
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BU of 2ch6 by Molmil
Crystal structure of human N-acetylglucosamine kinase in complex with ADP and glucose
Descriptor: ADENOSINE-5'-DIPHOSPHATE, N-ACETYL-D-GLUCOSAMINE KINASE, alpha-D-glucopyranose
Authors:Weihofen, W.A, Berger, M, Chen, H, Saenger, W, Hinderlich, S.
Deposit date:2006-03-13
Release date:2006-09-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structures of Human N-Acetylglucosamine Kinase in Two Complexes with N-Acetylglucosamine and with Adp/Glucose: Insights Into Substrate Specificity and Regulation.
J.Mol.Biol., 364, 2006
8VQC
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BU of 8vqc by Molmil
Structure of the voltage-gated sodium channel NavPas from American Cockroach Periplaneta Americana in complex with scorpion alpha-toxin LqhaIT
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-insect toxin LqhaIT, ...
Authors:Phulera, S, Khoshouei, M, Whicher, J, Weihofen, W.A.
Deposit date:2024-01-18
Release date:2024-09-04
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Scorpion alpha-toxin Lqh alpha IT specifically interacts with a glycan at the pore domain of voltage-gated sodium channels.
Structure, 32, 2024
4ZI9
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BU of 4zi9 by Molmil
Structure of mouse clustered PcdhgA1 EC1-3
Descriptor: CALCIUM ION, MCG133388, isoform CRA_t
Authors:Nicoludis, J.M, Lau, S.-Y, Scharfe, C.P.I, Marks, D.S, Weihofen, W.A, Gaudet, R.
Deposit date:2015-04-27
Release date:2015-10-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Sequence Analyses of Clustered Protocadherins Reveal Antiparallel Interactions that Mediate Homophilic Specificity.
Structure, 23, 2015
4ZI8
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BU of 4zi8 by Molmil
Structure of mouse clustered PcdhgC3 EC1-3
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Nicoludis, J.M, Lau, S.-Y, Scharfe, C.P.I, Marks, D.S, Weihofen, W.A, Gaudet, R.
Deposit date:2015-04-27
Release date:2015-10-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Structure and Sequence Analyses of Clustered Protocadherins Reveal Antiparallel Interactions that Mediate Homophilic Specificity.
Structure, 23, 2015
5KTE
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BU of 5kte by Molmil
Crystal structure of Deinococcus radiodurans MntH, an Nramp-family transition metal transporter
Descriptor: Divalent metal cation transporter MntH, Fab Heavy Chain, Fab Light Chain, ...
Authors:Bane, L.B, Gaudet, R, Weihofen, W.A, Singharoy, A.
Deposit date:2016-07-11
Release date:2016-11-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.941 Å)
Cite:Crystal Structure and Conformational Change Mechanism of a Bacterial Nramp-Family Divalent Metal Transporter.
Structure, 24, 2016
2J7Q
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Crystal structure of the ubiquitin-specific protease encoded by murine cytomegalovirus tegument protein M48 in complex with a ubquitin-based suicide substrate
Descriptor: GLYCEROL, MAGNESIUM ION, MCMV TEGUMENT PROTEIN M48 ENCODED UBIQUITIN- SPECIFIC PROTEASE, ...
Authors:Schlieker, C, Weihofen, W.A, Frijns, E, Kattenhorn, L.M, Gaudet, R, Ploegh, H.L.
Deposit date:2006-10-16
Release date:2007-03-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a Herpesvirus-Encoded Cysteine Protease Reveals a Unique Class of Deubiquitinating Enzymes
Mol.Cell, 25, 2007
6D9W
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BU of 6d9w by Molmil
Crystal structure of Deinococcus radiodurans MntH, an Nramp-family transition metal transporter, in the inward-open apo state
Descriptor: Divalent metal cation transporter MntH, Fab Heavy Chain, Fab Light Chain, ...
Authors:Gaudet, R, Bane, L.B, Weihofen, W.A, Singharoy, A, Zimanyi, C.M, Bozzi, A.T.
Deposit date:2018-04-30
Release date:2019-02-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.941 Å)
Cite:Structures in multiple conformations reveal distinct transition metal and proton pathways in an Nramp transporter.
Elife, 8, 2019
1GSZ
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BU of 1gsz by Molmil
Crystal Structure of a Squalene Cyclase in Complex with the Potential Anticholesteremic Drug Ro48-8071
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SQUALENE--HOPENE CYCLASE, [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
Authors:Lenhart, A, Weihofen, W.A, Pleschke, A.E.W, Schulz, G.E.
Deposit date:2002-01-09
Release date:2003-01-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of a Squalene Cyclase in Complex with the Potential Anticholesteremic Drug Ro48-8071
Chem.Biol., 9, 2002
1O79
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BU of 1o79 by Molmil
Structures of human oxidosqualene cyclase inhibitors bound to an homologous enzyme
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, METHYL-[4-(4-PIPERIDINE-1-YLMETHYL-PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID-(4-CHLOROPHENYL)-ESTER, SQUALENE--HOPENE CYCLASE
Authors:Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E.
Deposit date:2002-10-27
Release date:2003-10-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003

 

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