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4ZDA
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BU of 4zda by Molmil
Crystal structure of isocitrate dehydrogenase in complex with isocitrate and Mn from M. smegmatis
Descriptor: ISOCITRIC ACID, Isocitrate dehydrogenase (NADP) Icd2, MANGANESE (II) ION
Authors:Pojer, F, Murima, P, McKinney, J.D.
Deposit date:2015-04-17
Release date:2016-06-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:crystal structure of isocitrate dehydrogenase in complex with isocitrate and Mn from M. smegmatis
To Be Published
2F82
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BU of 2f82 by Molmil
HMG-CoA synthase from Brassica juncea in the apo-form
Descriptor: HMG-CoA synthase
Authors:Pojer, F, Ferrer, J.L, Richard, S.B, Noel, J.P.
Deposit date:2005-12-01
Release date:2006-07-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the design of potent and species-specific inhibitors of 3-hydroxy-3-methylglutaryl CoA synthases.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2FA0
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BU of 2fa0 by Molmil
HMG-CoA synthase from Brassica juncea in complex with HMG-CoA and covalently bound to HMG-CoA
Descriptor: 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, HMG-CoA synthase
Authors:Pojer, F, Ferrer, J.L, Richard, S.B, Noel, J.P.
Deposit date:2005-12-06
Release date:2006-07-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural basis for the design of potent and species-specific inhibitors of 3-hydroxy-3-methylglutaryl CoA synthases.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2F9A
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BU of 2f9a by Molmil
HMG-CoA synthase from Brassica juncea in complex with F-244
Descriptor: (7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid, 3-Hydroxy-3-methylglutaryl coenzyme A synthase 1
Authors:Pojer, F, Ferrer, J.L, Richard, S.B, Noel, J.P.
Deposit date:2005-12-05
Release date:2006-07-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural basis for the design of potent and species-specific inhibitors of 3-hydroxy-3-methylglutaryl CoA synthases.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2FA3
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BU of 2fa3 by Molmil
HMG-CoA synthase from Brassica juncea in complex with acetyl-CoA and acetyl-cys117.
Descriptor: ACETYL COENZYME *A, HMG-CoA synthase
Authors:Pojer, F, Ferrer, J.L, Richard, S.B, Noel, J.P.
Deposit date:2005-12-06
Release date:2006-07-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structural basis for the design of potent and species-specific inhibitors of 3-hydroxy-3-methylglutaryl CoA synthases.
Proc.Natl.Acad.Sci.Usa, 103, 2006
5MTN
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BU of 5mtn by Molmil
Monobody Mb(Lck_1) bound to Lck-Sh2
Descriptor: Monobody Mb(Lck_1), SULFATE ION, Tyrosine-protein kinase Lck
Authors:Pojer, F, Kukenshoner, T, Koide, S, Hantschel, O.
Deposit date:2017-01-10
Release date:2017-04-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Selective Targeting of SH2 Domain-Phosphotyrosine Interactions of Src Family Tyrosine Kinases with Monobodies.
J. Mol. Biol., 429, 2017
5MTM
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BU of 5mtm by Molmil
Monobody Mb(Lck_3) bound to Lck-SH2 domain
Descriptor: Monobody Mb(Lck_3), Tyrosine-protein kinase Lck, ZINC ION
Authors:Pojer, F, Kukenshoner, T, Koide, S, Hantschel, O.
Deposit date:2017-01-10
Release date:2017-04-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.405 Å)
Cite:Selective Targeting of SH2 Domain-Phosphotyrosine Interactions of Src Family Tyrosine Kinases with Monobodies.
J. Mol. Biol., 429, 2017
2Q6K
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BU of 2q6k by Molmil
SalL with adenosine
Descriptor: ADENOSINE, DI(HYDROXYETHYL)ETHER, chlorinase
Authors:Pojer, F, Noel, J.P.
Deposit date:2007-06-05
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery and characterization of a marine bacterial SAM-dependent chlorinase
Nat.Chem.Biol., 4, 2008
3RIM
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BU of 3rim by Molmil
Crystal structure of mycobacterium tuberculosis Transketolase (Rv1449c)
Descriptor: GLYCEROL, MAGNESIUM ION, THIAMINE DIPHOSPHATE, ...
Authors:Pojer, F, Fullam, E, Jones, T.A, Cole, S.T.
Deposit date:2011-04-14
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure and function of the transketolase from Mycobacterium tuberculosis and comparison with the human enzyme.
Open Biol, 2, 2012
2Q6L
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BU of 2q6l by Molmil
SalL double mutant Y70T/G131S with CLDA and L-MET
Descriptor: 5'-CHLORO-5'-DEOXYADENOSINE, Hypothetical protein, METHIONINE
Authors:Pojer, F, Noel, J.P.
Deposit date:2007-06-05
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Discovery and characterization of a marine bacterial SAM-dependent chlorinase
Nat.Chem.Biol., 4, 2008
4BGE
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BU of 4bge by Molmil
Crystal structure of InhA(S94A) mutant in complex with pyridomycin
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], Pyridomycin
Authors:Pojer, F, Hartkoorn, R.C, Cole, S.T.
Deposit date:2013-03-26
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Pyridomycin bridges the NADH- and substrate-binding pockets of the enoyl reductase InhA.
Nat. Chem. Biol., 10, 2014
4BGI
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BU of 4bgi by Molmil
Crystal structure of InhA(S94A) mutant in complex with OH-141
Descriptor: 3-hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Pojer, F, Hartkoorn, R.C, Cole, S.T.
Deposit date:2013-03-27
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Pyridomycin bridges the NADH- and substrate-binding pockets of the enoyl reductase InhA.
Nat. Chem. Biol., 10, 2014
4DQU
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BU of 4dqu by Molmil
Mycobacterium tuberculosis InhA-D148G mutant in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Pojer, F, Hartkoorn, R.C, Boy, S, Cole, S.T.
Deposit date:2012-02-16
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Towards a new tuberculosis drug: pyridomycin - nature's isoniazid.
EMBO Mol Med, 4, 2012
4DTI
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BU of 4dti by Molmil
Mycobacterium tuberculosis InhA-S94A mutant in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Pojer, F, Hartkoorn, R.C, Boy, S, Cole, S.T.
Deposit date:2012-02-21
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Towards a new tuberculosis drug: pyridomycin - nature's isoniazid.
EMBO Mol Med, 4, 2012
4DRE
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BU of 4dre by Molmil
Mycobacterium tuberculosis InhA in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Pojer, F, Hartkoorn, R.C, Boy, S, Cole, S.T.
Deposit date:2012-02-17
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Towards a new tuberculosis drug: pyridomycin - nature's isoniazid.
EMBO Mol Med, 4, 2012
3L00
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BU of 3l00 by Molmil
Crystal structure of benzylated SNAP-tag
Descriptor: SNAP-tag, ZINC ION
Authors:Schmitt, S, Pojer, F, Schiltz, M, Johnsson, K.
Deposit date:2009-12-09
Release date:2010-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:SNAP-tag structure
To be Published
3BWN
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BU of 3bwn by Molmil
L-tryptophan aminotransferase
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, L-tryptophan aminotransferase, PHENYLALANINE, ...
Authors:Ferrer, J.-L, Noel, J.P, Pojer, F, Bowman, M, Chory, J, Tao, Y.
Deposit date:2008-01-10
Release date:2008-04-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Rapid synthesis of auxin via a new tryptophan-dependent pathway is required for shade avoidance in plants
Cell(Cambridge,Mass.), 133, 2008
3BWO
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BU of 3bwo by Molmil
L-tryptophan aminotransferase
Descriptor: L-tryptophan aminotransferase
Authors:Ferrer, J.-L, Noel, J.P, Pojer, F, Bowman, M, Chory, J, Tao, Y.
Deposit date:2008-01-10
Release date:2009-03-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Rapid synthesis of auxin via a new tryptophan-dependent pathway is required for the shade avoidance response of plants
To be Published
8RND
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BU of 8rnd by Molmil
Cathepsin S in complex with NNPI-C10 inhibitor
Descriptor: 1,2-ETHANEDIOL, Cathepsin S, DI(HYDROXYETHYL)ETHER, ...
Authors:Petruzzella, A, Lau, K, Pojer, F, Oricchio, E.
Deposit date:2024-01-09
Release date:2024-06-05
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins.
Nat.Chem.Biol., 20, 2024
6O02
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BU of 6o02 by Molmil
Monobody (MC3) bound to tyrosine kinase binding domain of E3 ubiquitin ligase CBL
Descriptor: E3 ubiquitin-protein ligase CBL, Monobody (MC3)
Authors:Kukenshoner, T, Pojer, F, Hantschel, O.
Deposit date:2019-02-15
Release date:2020-08-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.953 Å)
Cite:Monobody (MC3) bound to tyrosine kinase binding domain of E3 ubiquitin ligase CBL
To Be Published
6O03
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BU of 6o03 by Molmil
Monobody (MC17) bound to tyrosine kinase binding domain of E3 ubiquitin ligase CBL
Descriptor: E3 ubiquitin-protein ligase CBL, Monobody (MC17)
Authors:Kukenshoner, T, Pojer, F, Hantschel, O.
Deposit date:2019-02-15
Release date:2020-08-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Monobody (MC17) bound to tyrosine kinase binding domain of E3 ligase CBL
To Be Published
7AH4
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BU of 7ah4 by Molmil
Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0363
Descriptor: 4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)aniline, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V.
Deposit date:2020-09-24
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors.
J.Med.Chem., 64, 2021
7AH6
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BU of 7ah6 by Molmil
Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0752
Descriptor: 4-bromanyl-2-(4~{H}-1,2,4-triazol-3-yl)aniline, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ...
Authors:Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V.
Deposit date:2020-09-24
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.998 Å)
Cite:Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors.
J.Med.Chem., 64, 2021
3KZY
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BU of 3kzy by Molmil
Crystal structure of SNAP-tag
Descriptor: Methylated-DNA--protein-cysteine methyltransferase, ZINC ION
Authors:Bannwarth, M, Schmitt, S, Pojer, F, Schiltz, M, Johnsson, K.
Deposit date:2009-12-09
Release date:2010-12-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:SNAP-tag structure
To be Published
7AH5
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BU of 7ah5 by Molmil
Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0706
Descriptor: 4-chloranyl-2-(1~{H}-1,2,4-triazol-5-yl)aniline, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V.
Deposit date:2020-09-24
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors.
J.Med.Chem., 64, 2021

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PDB entries from 2024-09-18

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