5A4C
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![BU of 5a4c by Molmil](/molmil-images/mine/5a4c) | FGFR1 ligand complex | Descriptor: | 1,2-ETHANEDIOL, 1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ... | Authors: | Klein, T, Vajpai, N, Phillips, J.J, Davies, G, Holdgate, G.A, Phillips, C, Tucker, J.A, Norman, R.A, Scott, A.S, Higazi, D.R, Lowe, D, Thompson, G.S, Breeze, A.L. | Deposit date: | 2015-06-05 | Release date: | 2015-08-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase. Nat.Commun., 6, 2015
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5A46
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![BU of 5a46 by Molmil](/molmil-images/mine/5a46) | FGFR1 in complex with dovitinib | Descriptor: | 1,2-ETHANEDIOL, 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ... | Authors: | Klein, T, Vajpai, N, Phillips, J.J, Davies, G, Holdgate, G.A, Phillips, C, Tucker, J.A, Norman, R.A, Scott, A.S, Higazi, D.R, Lowe, D, Thompson, G.S, Breeze, A.L. | Deposit date: | 2015-06-05 | Release date: | 2015-08-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase. Nat.Commun., 6, 2015
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4NK9
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![BU of 4nk9 by Molmil](/molmil-images/mine/4nk9) | Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex with pyrazolaminopyrimidine 1 | Descriptor: | 1,2-ETHANEDIOL, FIBROBLAST GROWTH FACTOR RECEPTOR 1, N~4~-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine, ... | Authors: | Norman, R.A, Klein, T. | Deposit date: | 2013-11-12 | Release date: | 2013-12-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | FGFR1 Kinase Inhibitors: Close Regioisomers Adopt Divergent Binding Modes and Display Distinct Biophysical Signatures. ACS Med Chem Lett, 5, 2014
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4NKS
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4NKA
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![BU of 4nka by Molmil](/molmil-images/mine/4nka) | Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex with pyrazolaminopyrimidine 2 | Descriptor: | 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N~4~-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine, ... | Authors: | Norman, R.A, Klein, T. | Deposit date: | 2013-11-12 | Release date: | 2013-12-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | FGFR1 Kinase Inhibitors: Close Regioisomers Adopt Divergent Binding Modes and Display Distinct Biophysical Signatures. ACS Med Chem Lett, 5, 2014
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1JAQ
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![BU of 1jaq by Molmil](/molmil-images/mine/1jaq) | COMPLEX OF 1-HYDROXYLAMINE-2-ISOBUTYLMALONYL-ALA-GLY-NH2 WITH THE CATALYTIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM) | Descriptor: | CALCIUM ION, MATRIX METALLO PROTEINASE-8 (MET80 FORM), N-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alanylglycinamide, ... | Authors: | Grams, F, Reinemer, P, Powers, J.C, Kleine, T, Piper, M, Tschesche, H, Huber, R, Bode, W. | Deposit date: | 1996-03-11 | Release date: | 1996-07-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray structures of human neutrophil collagenase complexed with peptide hydroxamate and peptide thiol inhibitors. Implications for substrate binding and rational drug design. Eur.J.Biochem., 228, 1995
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1JAO
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![BU of 1jao by Molmil](/molmil-images/mine/1jao) | COMPLEX OF 3-MERCAPTO-2-BENZYLPROPANOYL-ALA-GLY-NH2 WITH THE CATALYTIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM) | Descriptor: | CALCIUM ION, MATRIX METALLO PROTEINASE-8 (MET80 FORM), N-[(2S)-2-benzyl-3-sulfanylpropanoyl]-L-alanylglycinamide, ... | Authors: | Grams, F, Reinemer, P, Powers, J.C, Kleine, T, Piper, M, Tschesche, H, Huber, R, Bode, W. | Deposit date: | 1996-03-11 | Release date: | 1996-07-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray structures of human neutrophil collagenase complexed with peptide hydroxamate and peptide thiol inhibitors. Implications for substrate binding and rational drug design. Eur.J.Biochem., 228, 1995
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1JAN
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![BU of 1jan by Molmil](/molmil-images/mine/1jan) | COMPLEX OF PRO-LEU-GLY-HYDROXYLAMINE WITH THE CATALYTIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (PHE79 FORM) | Descriptor: | CALCIUM ION, MATRIX METALLO PROTEINASE-8 (PHE79 FORM), PRO-LEU-GLY-HYDROXYLAMINE INHIBITOR, ... | Authors: | Reinemer, P, Grams, F, Huber, R, Kleine, T, Schnierer, S, Pieper, M, Tschesche, H, Bode, W. | Deposit date: | 1996-03-11 | Release date: | 1996-07-11 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural implications for the role of the N terminus in the 'superactivation' of collagenases. A crystallographic study. FEBS Lett., 338, 1994
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1JAP
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![BU of 1jap by Molmil](/molmil-images/mine/1jap) | COMPLEX OF PRO-LEU-GLY-HYDROXYLAMINE WITH THE CATALYTIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM) | Descriptor: | CALCIUM ION, MATRIX METALLO PROTEINASE-8 (MET80 FORM), PRO-LEU-GLY-HYDROXYLAMINE, ... | Authors: | Bode, W, Reinemer, P, Huber, R, Kleine, T, Schnierer, S, Tschesche, H. | Deposit date: | 1996-03-11 | Release date: | 1996-07-11 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | The X-ray crystal structure of the catalytic domain of human neutrophil collagenase inhibited by a substrate analogue reveals the essentials for catalysis and specificity. EMBO J., 13, 1994
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4V05
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![BU of 4v05 by Molmil](/molmil-images/mine/4v05) | FGFR1 in complex with AZD4547. | Descriptor: | 1,2-ETHANEDIOL, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, PFEIFFER SYNDROME), ... | Authors: | Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A. | Deposit date: | 2014-09-10 | Release date: | 2014-12-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4 Structure, 22, 2014
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4V01
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![BU of 4v01 by Molmil](/molmil-images/mine/4v01) | FGFR1 in complex with ponatinib (co-crystallisation). | Descriptor: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ... | Authors: | Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A. | Deposit date: | 2014-09-10 | Release date: | 2014-12-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4 Structure, 22, 2014
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4V04
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![BU of 4v04 by Molmil](/molmil-images/mine/4v04) | FGFR1 in complex with ponatinib. | Descriptor: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ... | Authors: | Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A. | Deposit date: | 2014-09-10 | Release date: | 2014-12-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4 Structure, 22, 2014
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4UXQ
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![BU of 4uxq by Molmil](/molmil-images/mine/4uxq) | FGFR4 in complex with Ponatinib | Descriptor: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, FIBROBLAST GROWTH FACTOR RECEPTOR 4, SULFATE ION | Authors: | Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A. | Deposit date: | 2014-08-27 | Release date: | 2014-12-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4 Structure, 22, 2014
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1FMY
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![BU of 1fmy by Molmil](/molmil-images/mine/1fmy) | HIGH RESOLUTION SOLUTION STRUCTURE OF THE PROTEIN PART OF CU7 METALLOTHIONEIN | Descriptor: | METALLOTHIONEIN | Authors: | Bertini, I, Hartmann, H.J, Klein, T, Liu, G, Luchinat, C, Weser, U. | Deposit date: | 2000-08-18 | Release date: | 2000-09-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | High resolution solution structure of the protein part of Cu7 metallothionein. Eur.J.Biochem., 267, 2000
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1MMB
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![BU of 1mmb by Molmil](/molmil-images/mine/1mmb) | COMPLEX OF BB94 WITH THE CATALYTIC DOMAIN OF MATRIX METALLOPROTEINASE-8 | Descriptor: | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, CALCIUM ION, MATRIX METALLOPROTEINASE-8, ... | Authors: | Bode, W, Grams, F. | Deposit date: | 1995-08-23 | Release date: | 1996-10-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure determination and analysis of human neutrophil collagenase complexed with a hydroxamate inhibitor. Biochemistry, 34, 1995
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1IAG
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1ZVX
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![BU of 1zvx by Molmil](/molmil-images/mine/1zvx) | Crystal structure of the complex between MMP-8 and a phosphonate inhibitor (R-enantiomer) | Descriptor: | (1R)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID, CALCIUM ION, Neutrophil collagenase, ... | Authors: | Pochetti, G, Gavuzzo, E, Campestre, C, Agamennone, M, Tortorella, P, Consalvi, V, Gallina, C, Hiller, O, Tschesche, H, Tucker, P.A, Mazza, F. | Deposit date: | 2005-06-03 | Release date: | 2006-05-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural insight into the stereoselective inhibition of MMP-8 by enantiomeric sulfonamide phosphonates. J.Med.Chem., 49, 2006
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1ZS0
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![BU of 1zs0 by Molmil](/molmil-images/mine/1zs0) | Crystal structure of the complex between MMP-8 and a phosphonate inhibitor (S-enantiomer) | Descriptor: | (1S)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Pochetti, G, Gavuzzo, E, Campestre, C, Agamennone, M, Tortorella, P, Consalvi, V, Gallina, C, Hiller, O, Tschesche, H, Tucker, P.A, Mazza, F. | Deposit date: | 2005-05-23 | Release date: | 2006-05-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural insight into the stereoselective inhibition of MMP-8 by enantiomeric sulfonamide phosphonates. J.Med.Chem., 49, 2006
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1I76
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![BU of 1i76 by Molmil](/molmil-images/mine/1i76) | COMPLEX OF 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID (D-TIC DERIVATIVE) WITH T CATALITIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM) | Descriptor: | 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, CALCIUM ION, NEUTROPHIL COLLAGENASE, ... | Authors: | Gavuzzo, E, Pochetti, G, Mazza, F, Gallina, C, Gorini, B, D'Alessio, S, Pieper, M, Tschesche, H, Tucker, P.A. | Deposit date: | 2001-03-08 | Release date: | 2001-03-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Two crystal structures of human neutrophil collagenase, one complexed with a primed- and the other with an unprimed-side inhibitor: implications for drug design. J.Med.Chem., 43, 2000
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1I73
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![BU of 1i73 by Molmil](/molmil-images/mine/1i73) | COMPLEX OF PRO-LEU-L-TRP PHOSPHONATE WITH THE CATALITIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM) | Descriptor: | CALCIUM ION, NEUTROPHIL COLLAGENASE, THREE RESIDUE PEPTIDE INHIBITOR, ... | Authors: | Gavuzzo, E, Pochetti, G, Mazza, F, Gallina, C, Gorini, B, D'Alessio, S, Pieper, M, Tschesche, H, Tucker, P.A. | Deposit date: | 2001-03-07 | Release date: | 2001-03-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Two crystal structures of human neutrophil collagenase, one complexed with a primed- and the other with an unprimed-side inhibitor: implications for drug design. J.Med.Chem., 43, 2000
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1AXW
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6H4A
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![BU of 6h4a by Molmil](/molmil-images/mine/6h4a) | Human MALT1(329-728) in complex with MLT-748 | Descriptor: | 1-[2-chloranyl-7-[(1~{R},2~{R})-1,2-dimethoxypropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloranyl-6-(1,2,3-triazol-2-yl)pyridin-3-yl]urea, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | Authors: | Renatus, M, Renatus, M. | Deposit date: | 2018-07-20 | Release date: | 2019-02-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | An allosteric MALT1 inhibitor is a molecular corrector rescuing function in an immunodeficient patient. Nat. Chem. Biol., 15, 2019
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5VO5
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![BU of 5vo5 by Molmil](/molmil-images/mine/5vo5) | |
5J45
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6F7I
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![BU of 6f7i by Molmil](/molmil-images/mine/6f7i) | human MALT1(329-728) IN COMPLEX WITH MLT-747 | Descriptor: | 1-[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloranyl-6-pyrrolidin-1-ylcarbonyl-pyridin-3-yl)urea, GLYCEROL, MAGNESIUM ION, ... | Authors: | Renatus, M, Renatus, M. | Deposit date: | 2017-12-09 | Release date: | 2019-01-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | An allosteric MALT1 inhibitor is a molecular corrector rescuing function in an immunodeficient patient. Nat. Chem. Biol., 15, 2019
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