1AXE
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![BU of 1axe by Molmil](/molmil-images/mine/1axe) | CRYSTAL STRUCTURE OF THE ACTIVE-SITE MUTANT PHE93->TRP OF HORSE LIVER ALCOHOL DEHYDROGENASE IN COMPLEX WITH NAD AND INHIBITOR TRIFLUOROETHANOL | Descriptor: | ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ... | Authors: | Colby, T.D, Chin, J.K, Goldstein, B.M. | Deposit date: | 1997-10-15 | Release date: | 1998-04-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A link between protein structure and enzyme catalyzed hydrogen tunneling. Proc.Natl.Acad.Sci.USA, 94, 1997
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6Z35
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![BU of 6z35 by Molmil](/molmil-images/mine/6z35) | De-novo Maquette 2 protein with buried ion-pair | Descriptor: | Maquette 2-1ip | Authors: | Baumgart, M, Roepke, M, Muehlbauer, M, Asami, S, Mader, S, Fredriksson, K, Groll, M, Gamiz-Hernandez, A.P, Kaila, V.R.I. | Deposit date: | 2020-05-19 | Release date: | 2021-04-07 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Design of buried charged networks in artificial proteins. Nat Commun, 12, 2021
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1HEU
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![BU of 1heu by Molmil](/molmil-images/mine/1heu) | ATOMIC X-RAY STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE CONTAINING Cadmium and a hydroxide adduct to NADH | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ALCOHOL DEHYDROGENASE E CHAIN, CADMIUM ION, ... | Authors: | Meijers, R, Morris, R.J, Adolph, H.W, Merli, A, Lamzin, V.S, Cedergen-Zeppezauer, E.S. | Deposit date: | 2000-11-26 | Release date: | 2001-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | On the Enzymatic Activation of Nadh J.Biol.Chem., 276, 2001
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1HF3
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![BU of 1hf3 by Molmil](/molmil-images/mine/1hf3) | ATOMIC X-RAY STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE CONTAINING Cadmium and a hydroxide adduct to NADH | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ALCOHOL DEHYDROGENASE E CHAIN, CADMIUM ION, ... | Authors: | Meijers, R, Morris, R.J, Adolph, H.W, Merli, A, Lamzin, V.S, Cedergen-Zeppezauer, E.S. | Deposit date: | 2000-11-27 | Release date: | 2001-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | On the Enzymatic Activation of Nadh J.Biol.Chem., 276, 2001
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1EE2
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![BU of 1ee2 by Molmil](/molmil-images/mine/1ee2) | |
5LAW
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![BU of 5law by Molmil](/molmil-images/mine/5law) | Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 14 | Descriptor: | 2-[(3~{S},3'~{a}~{S},6'~{S},6'~{a}~{S})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{H}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{H}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Kessler, D, Gollner, A. | Deposit date: | 2016-06-15 | Release date: | 2016-11-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016
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5LAZ
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![BU of 5laz by Molmil](/molmil-images/mine/5laz) | Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND BI-0252 | Descriptor: | 4-[(2~{R},3~{a}~{S},5~{S},6~{S},6~{a}~{S})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{H}-indole]-2-yl]benzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION, ... | Authors: | Kessler, D, Gollner, A. | Deposit date: | 2016-06-15 | Release date: | 2016-11-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016
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5LAV
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![BU of 5lav by Molmil](/molmil-images/mine/5lav) | Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) in complex with compound 6b | Descriptor: | (3~{S},3'~{S},4'~{S})-4'-azanyl-6-chloranyl-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Kessler, D, Gollner, A. | Deposit date: | 2016-06-15 | Release date: | 2016-11-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016
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5LAY
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![BU of 5lay by Molmil](/molmil-images/mine/5lay) | Discovery of New Natural-product-inspired Spiro-oxindole Compounds as Orally Active Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 6g | Descriptor: | (3~{S},3'~{S},4'~{S},5'~{S})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | Authors: | Kessler, D, Gollner, A. | Deposit date: | 2016-06-15 | Release date: | 2016-11-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016
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6TV3
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![BU of 6tv3 by Molmil](/molmil-images/mine/6tv3) | HumRadA1 in complex with 3-amino-2-naphthoic acid | Descriptor: | 3-azanylnaphthalene-2-carboxylic acid, DNA repair and recombination protein RadA, GLYCEROL, ... | Authors: | Marsh, M.E, Hyvonen, M. | Deposit date: | 2020-01-08 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death. Cell Chem Biol, 28, 2021
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7PCD
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![BU of 7pcd by Molmil](/molmil-images/mine/7pcd) | HER2 IN COMPLEX WITH A COVALENT INHIBITOR | Descriptor: | 1-[4-[4-[[3,5-bis(chloranyl)-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]amino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]-4-(3-fluoranylazetidin-1-yl)butan-1-one, Receptor tyrosine-protein kinase erbB-2 | Authors: | Bader, G. | Deposit date: | 2021-08-03 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Discovery of potent and selective HER2 inhibitors with efficacy against HER2 exon 20 insertion-driven tumors, which preserve wild-type EGFR signaling. Nat Cancer, 3, 2022
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6HPV
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![BU of 6hpv by Molmil](/molmil-images/mine/6hpv) | Crystal structure of mouse fetuin-B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Fetuin-B | Authors: | Fahrenkamp, D, Dietzel, E, de Sanctis, D, Jovine, L. | Deposit date: | 2018-09-22 | Release date: | 2019-02-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition. Iucrj, 6, 2019
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6TX5
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![BU of 6tx5 by Molmil](/molmil-images/mine/6tx5) | |
4TS6
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![BU of 4ts6 by Molmil](/molmil-images/mine/4ts6) | |
7NBW
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![BU of 7nbw by Molmil](/molmil-images/mine/7nbw) | |
6TX8
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![BU of 6tx8 by Molmil](/molmil-images/mine/6tx8) | |
6TX6
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![BU of 6tx6 by Molmil](/molmil-images/mine/6tx6) | |
6TXX
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![BU of 6txx by Molmil](/molmil-images/mine/6txx) | CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH SAFit2 | Descriptor: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Fiegen, D, Draxler, S.W. | Deposit date: | 2020-01-14 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51. J.Med.Chem., 63, 2020
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6Z88
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![BU of 6z88 by Molmil](/molmil-images/mine/6z88) | human GTP cyclohydrolase I in complex with allosteric inhibitor | Descriptor: | 5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione, GTP cyclohydrolase 1, ZINC ION | Authors: | Ebenhoch, R, Nar, H. | Deposit date: | 2020-06-02 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.687 Å) | Cite: | A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Z89
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![BU of 6z89 by Molmil](/molmil-images/mine/6z89) | human GTP cyclohydrolase I in complex with allosteric inhibitor | Descriptor: | 5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione, GTP cyclohydrolase 1, ZINC ION | Authors: | Ebenhoch, R, Nar, H. | Deposit date: | 2020-06-02 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.366 Å) | Cite: | A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Z80
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![BU of 6z80 by Molmil](/molmil-images/mine/6z80) | stimulatory human GTP cyclohydrolase I - GFRP complex | Descriptor: | 8-OXO-GUANOSINE-5'-TRIPHOSPHATE, GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, ... | Authors: | Ebenhoch, R, Nar, H, Vonck, J. | Deposit date: | 2020-06-02 | Release date: | 2020-12-09 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Z87
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![BU of 6z87 by Molmil](/molmil-images/mine/6z87) | human GTP cyclohydrolase I | Descriptor: | GTP cyclohydrolase 1, ZINC ION | Authors: | Ebenhoch, R, Nar, H. | Deposit date: | 2020-06-02 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.564 Å) | Cite: | A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Z86
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![BU of 6z86 by Molmil](/molmil-images/mine/6z86) | |
6XTW
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![BU of 6xtw by Molmil](/molmil-images/mine/6xtw) | HumRadA33F in complex with peptidic inhibitor 6 | Descriptor: | DNA repair and recombination protein RadA, SULFATE ION, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide | Authors: | Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | Deposit date: | 2020-01-16 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death. Cell Chem Biol, 28, 2021
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6Z85
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![BU of 6z85 by Molmil](/molmil-images/mine/6z85) | inhibitory human GTP cyclohydrolase I - GFRP complex | Descriptor: | 7,8-DIHYDROBIOPTERIN, GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, ... | Authors: | Ebenhoch, R, Nar, H, Vonck, J. | Deposit date: | 2020-06-02 | Release date: | 2020-12-09 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I. Proc.Natl.Acad.Sci.USA, 117, 2020
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