5H5F
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1SRG
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3T2N
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![BU of 3t2n by Molmil](/molmil-images/mine/3t2n) | Human hepsin protease in complex with the Fab fragment of an inhibitory antibody | Descriptor: | Antibody, Fab fragment, Heavy Chain, ... | Authors: | Koschubs, T, Dengl, S, Duerr, H, Kaluza, K, Georges, G, Hartl, C, Jennewein, S, Lanzendoerfer, M, Auer, J, Stern, A, Huang, K.-S, Kostrewa, D, Ries, S, Hansen, S, Kohnert, U, Cramer, P, Mundigl, O. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2012-07-25 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Allosteric antibody inhibition of human hepsin protease. Biochem.J., 442, 2012
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1SRI
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1SRF
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4BCD
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![BU of 4bcd by Molmil](/molmil-images/mine/4bcd) | PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A NON-COVALENTLY BOUND P2-substituted N-acyl-prolylpyrrolidine inhibitor | Descriptor: | 1-[(2S,4S)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-yl]-4-phenyl-butan-1-one, GLYCEROL, PROLYL ENDOPEPTIDASE, ... | Authors: | VanDerVeken, P, Fulop, V, Rea, D, Gerard, M, VanElzen, R, Joossens, J, Cheng, J.D, Baekelandt, V, DeMeester, I, Lambeir, A.M, Augustyns, K. | Deposit date: | 2012-10-01 | Release date: | 2013-03-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | P2-Substituted N-Acylprolylpyrrolidine Inhibitors of Prolyl Oligopeptidase: Biochemical Evaluation, Binding Mode Determination, and Assessment in a Cellular Model of Synucleinopathy. J.Med.Chem., 55, 2012
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1SVG
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![BU of 1svg by Molmil](/molmil-images/mine/1svg) | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 4 | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ALPHA FORM, N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOYLAMINO]-AZEPAN-3-YL}ISONICOTINAMIDE, ... | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-03-29 | Release date: | 2005-03-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors J.Med.Chem., 47, 2004
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1T4N
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![BU of 1t4n by Molmil](/molmil-images/mine/1t4n) | Solution structure of Rnt1p dsRBD | Descriptor: | Ribonuclease III | Authors: | Leulliot, N, Quevillon-Cheruel, S, Graille, M, van Tilbeurgh, H, Leeper, T.C, Godin, K.S, Edwards, T.E, Sigurdsson, S.T, Rozenkrants, N, Nagel, R.J, Ares, M, Varani, G. | Deposit date: | 2004-04-30 | Release date: | 2004-07-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A new alpha-helical extension promotes RNA binding by the dsRBD of Rnt1p RNAse III Embo J., 23, 2004
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4BCB
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![BU of 4bcb by Molmil](/molmil-images/mine/4bcb) | PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND P2- substituted N-acyl-prolylpyrrolidine inhibitor | Descriptor: | (5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, GLYCEROL, PROLYL ENDOPEPTIDASE, ... | Authors: | VanDerVeken, P, Fulop, V, Rea, D, Gerard, M, VanElzen, R, Joossens, J, Cheng, J.D, Baekelandt, V, DeMeester, I, Lambeir, A.M, Augustyns, K. | Deposit date: | 2012-10-01 | Release date: | 2013-03-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | P2-Substituted N-Acylprolylpyrrolidine Inhibitors of Prolyl Oligopeptidase: Biochemical Evaluation, Binding Mode Determination, and Assessment in a Cellular Model of Synucleinopathy. J.Med.Chem., 55, 2012
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7QCM
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![BU of 7qcm by Molmil](/molmil-images/mine/7qcm) | Structure of SARS-CoV-2 Papain-like Protease bound to N-(3-methoxy-4-hydroxy-acetophenone)thiosemicarbazone | Descriptor: | CHLORIDE ION, GLYCEROL, N-(3-metoxy-4-hydroxy-acetophenone)thiosemicarbazone, ... | Authors: | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | Deposit date: | 2021-11-24 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease. Front Chem, 10, 2022
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7QCK
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![BU of 7qck by Molmil](/molmil-images/mine/7qck) | Structure of SARS-CoV-2 Papain-like Protease bound to N-(2,5-dihydroxybenzylidene)-thiosemicarbazone | Descriptor: | CHLORIDE ION, GLYCEROL, N-(2,5-dihydroxybenzylidene)-thiosemicarbazone, ... | Authors: | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | Deposit date: | 2021-11-24 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease. Front Chem, 10, 2022
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7QCI
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![BU of 7qci by Molmil](/molmil-images/mine/7qci) | Structure of SARS-CoV-2 Papain-like Protease bound to N-(3,4-dihydroxybenzylidene)-thiosemicarbazone | Descriptor: | CHLORIDE ION, GLYCEROL, N-(3,4-dihydroxybenzylidene)-thiosemicarbazone, ... | Authors: | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | Deposit date: | 2021-11-24 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease. Front Chem, 10, 2022
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1T4O
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![BU of 1t4o by Molmil](/molmil-images/mine/1t4o) | Crystal structure of rnt1p dsRBD | Descriptor: | Ribonuclease III | Authors: | Leulliot, N, Quevillon-Cheruel, S, Graille, M, van Tilbeurgh, H, Leeper, T.C, Godin, K.S, Edwards, T.E, Sigurdsson, S.T, Rozenkrants, N, Nagel, R.J, Ares Jr, M, Varani, G. | Deposit date: | 2004-04-30 | Release date: | 2004-06-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A new alpha-helical extension promotes RNA binding by the dsRBD of Rnt1p RNAse III Embo J., 23, 2004
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7QCJ
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![BU of 7qcj by Molmil](/molmil-images/mine/7qcj) | Structure of SARS-CoV-2 Papain-like Protease bound to N-(2,4-dihydroxybenzylidene)-thiosemicarbazone | Descriptor: | CHLORIDE ION, GLYCEROL, N-(2,4-dihydroxybenzylidene)-thiosemicarbazone, ... | Authors: | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | Deposit date: | 2021-11-24 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease. Front Chem, 10, 2022
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7QCH
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![BU of 7qch by Molmil](/molmil-images/mine/7qch) | Structure of SARS-CoV-2 Papain-like Protease bound to N-(3,5-dimethoxy-4-hydroxybenzyliden)thiosemicarbazone | Descriptor: | CHLORIDE ION, GLYCEROL, N-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbazone, ... | Authors: | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | Deposit date: | 2021-11-24 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease. Front Chem, 10, 2022
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7QCG
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![BU of 7qcg by Molmil](/molmil-images/mine/7qcg) | Structure of SARS-CoV-2 Papain-like Protease bound to N-(2-pyrrolidyl)-3,4,5-trihydroxybenzoylhydrazone | Descriptor: | 3,4,5-tris(oxidanyl)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | Deposit date: | 2021-11-23 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease. Front Chem, 10, 2022
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1SZV
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![BU of 1szv by Molmil](/molmil-images/mine/1szv) | Structure of the Adaptor Protein p14 reveals a Profilin-like Fold with Novel Function | Descriptor: | Late endosomal/lysosomal Mp1 interacting protein | Authors: | Qian, C, Zhang, Q, Wang, X, Zeng, L, Farooq, A, Zhou, M.M. | Deposit date: | 2004-04-06 | Release date: | 2005-03-15 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the Adaptor Protein p14 Reveals a Profilin-like Fold with Distinct Function J.Mol.Biol., 347, 2005
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6TPF
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![BU of 6tpf by Molmil](/molmil-images/mine/6tpf) | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | Descriptor: | (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Griessner, A, Ritzen, A. | Deposit date: | 2019-12-13 | Release date: | 2020-06-10 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity. J.Med.Chem., 63, 2020
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1SVH
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![BU of 1svh by Molmil](/molmil-images/mine/1svh) | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 8 | Descriptor: | (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-03-29 | Release date: | 2005-03-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors J.Med.Chem., 47, 2004
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5HAW
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5HGJ
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![BU of 5hgj by Molmil](/molmil-images/mine/5hgj) | Structure of integrin alpha1beta1 and alpha2beta1 I-domains explain differential calcium-mediated ligand recognition | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Brown, K.L, Banerjee, S, Feigley, A, Abe, H, Blackwell, T, Zent, R, Pozzi, A, Hudson, B.H. | Deposit date: | 2016-01-08 | Release date: | 2017-04-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.399 Å) | Cite: | Salt-bridge modulates differential calcium-mediated ligand binding to integrin alpha 1- and alpha 2-I domains. Sci Rep, 8, 2018
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4YT6
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4YAX
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![BU of 4yax by Molmil](/molmil-images/mine/4yax) | Crystal structure of TRIM24 PHD-bromodomain complexed with N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzenesulfonamide (5g) | Descriptor: | GLYCEROL, N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, SULFATE ION, ... | Authors: | Poncet-Montange, G, Palmer, W, Jones, P. | Deposit date: | 2015-02-18 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor. J.Med.Chem., 59, 2016
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1JFN
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![BU of 1jfn by Molmil](/molmil-images/mine/1jfn) | SOLUTION STRUCTURE OF HUMAN APOLIPOPROTEIN(A) KRINGLE IV TYPE 6 | Descriptor: | APOLIPOPROTEIN A, KIV-T6 | Authors: | Maderegger, B, Bermel, W, Hrzenjak, A, Kostner, G.M, Sterk, H. | Deposit date: | 2001-06-21 | Release date: | 2002-06-28 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of human apolipoprotein(a) kringle IV type 6. Biochemistry, 41, 2002
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4Z40
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![BU of 4z40 by Molmil](/molmil-images/mine/4z40) | Active site complex BamBC of Benzoyl Coenzyme A reductase as isolated | Descriptor: | Benzoyl-CoA reductase, putative, IRON/SULFUR CLUSTER, ... | Authors: | Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U. | Deposit date: | 2015-04-01 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis of enzymatic benzene ring reduction. Nat.Chem.Biol., 11, 2015
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