1A88
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![BU of 1a88 by Molmil](/molmil-images/mine/1a88) | CHLOROPEROXIDASE L | Descriptor: | CHLOROPEROXIDASE L | Authors: | Hofmann, B, Toelzer, S, Pelletier, I, Altenbuchner, J, Van Pee, K.-H, Hecht, H.-J. | Deposit date: | 1998-04-03 | Release date: | 1998-10-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural investigation of the cofactor-free chloroperoxidases. J.Mol.Biol., 279, 1998
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6XGC
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![BU of 6xgc by Molmil](/molmil-images/mine/6xgc) | |
3CLZ
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![BU of 3clz by Molmil](/molmil-images/mine/3clz) | The set and ring associated (SRA) domain of UHRF1 bound to methylated DNA | Descriptor: | 5'-D(*DCP*DCP*DCP*DTP*DGP*DCP*DGP*DGP*DGP*DCP*DCP*DC)-3', 5'-D(*DGP*DGP*DGP*DCP*DCP*(5CM)P*DGP*DCP*DAP*DGP*DGP*DG)-3', E3 ubiquitin-protein ligase UHRF1 | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Dong, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-03-20 | Release date: | 2008-04-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for recognition of hemi-methylated DNA by the SRA domain of human UHRF1. Nature, 455, 2008
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1A8U
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![BU of 1a8u by Molmil](/molmil-images/mine/1a8u) | CHLOROPEROXIDASE T/BENZOATE COMPLEX | Descriptor: | BENZOIC ACID, CHLOROPEROXIDASE T, SULFATE ION | Authors: | Hofmann, B, Toelzer, S, Pelletier, I, Altenbuchner, J, Van Pee, K.-H, Hecht, H.-J. | Deposit date: | 1998-03-26 | Release date: | 1998-06-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural investigation of the cofactor-free chloroperoxidases. J.Mol.Biol., 279, 1998
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1A8Q
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![BU of 1a8q by Molmil](/molmil-images/mine/1a8q) | BROMOPEROXIDASE A1 | Descriptor: | BROMOPEROXIDASE A1 | Authors: | Hofmann, B, Toelzer, S, Pelletier, I, Altenbuchner, J, Van Pee, K.-H, Hecht, H.-J. | Deposit date: | 1998-03-27 | Release date: | 1998-06-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural investigation of the cofactor-free chloroperoxidases. J.Mol.Biol., 279, 1998
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1H12
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![BU of 1h12 by Molmil](/molmil-images/mine/1h12) | Structure of a cold-adapted family 8 xylanase | Descriptor: | ENDO-1,4-BETA-XYLANASE, alpha-D-xylopyranose, beta-D-xylopyranose | Authors: | Van Petegem, F, Collins, T, Meuwis, M.A, Feller, G, Gerday, C, Van Beeumen, J. | Deposit date: | 2002-07-02 | Release date: | 2003-03-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The Structure of a Cold-Adapted Family 8 Xylanase at 1.3 A Resolution: Structural Adaptations to Cold and Investigation of the Active Site J.Biol.Chem., 278, 2003
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6XN8
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![BU of 6xn8 by Molmil](/molmil-images/mine/6xn8) | Crystal Structure of 2-hydroxyacyl CoA lyase (HACL) from Rhodospirillales bacterium URHD0017 | Descriptor: | 2-hydroxyacyl-CoA lyase 1, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Miller, M.D, Xu, W, Olmos Jr, J.L, Chou, A, Clomburg, J.M, Gonzalez, R, Philips Jr, G.N. | Deposit date: | 2020-07-02 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of 2-hydroxyacyl CoA lyase (HACL) from Rhodospirillales bacterium URHD0017 To Be Published
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1A7U
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![BU of 1a7u by Molmil](/molmil-images/mine/1a7u) | CHLOROPEROXIDASE T | Descriptor: | CHLOROPEROXIDASE T | Authors: | Hofmann, B, Toelzer, S, Pelletier, I, Altenbuchner, J, Van Pee, K.-H, Hecht, H.-J. | Deposit date: | 1998-03-17 | Release date: | 1998-06-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural investigation of the cofactor-free chloroperoxidases. J.Mol.Biol., 279, 1998
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1IM1
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![BU of 1im1 by Molmil](/molmil-images/mine/1im1) | NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1, 20 STRUCTURES | Descriptor: | ALPHA-CONOTOXIN IM1 | Authors: | Rogers, J.P, Luginbuhl, P, Shen, G.S, Mccabe, R.T, Stevens, R.C, Wemmer, D.E. | Deposit date: | 1998-11-18 | Release date: | 1999-06-15 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | NMR solution structure of alpha-conotoxin ImI and comparison to other conotoxins specific for neuronal nicotinic acetylcholine receptors. Biochemistry, 38, 1999
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5NS1
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![BU of 5ns1 by Molmil](/molmil-images/mine/5ns1) | Cys-Gly dipeptidase GliJ in complex with Ni2+ | Descriptor: | CHLORIDE ION, Dipeptidase gliJ, NICKEL (II) ION | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2017-04-25 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ. ACS Chem. Biol., 12, 2017
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1DEF
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7BTV
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![BU of 7btv by Molmil](/molmil-images/mine/7btv) | Crystal structure of EHMT2 SET domain in complex with compound 5. | Descriptor: | Histone-lysine N-methyltransferase EHMT2, N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine, S-ADENOSYLMETHIONINE, ... | Authors: | Suzuki, M, Mizuno, T, Katayama, K. | Deposit date: | 2020-04-03 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of novel histone lysine methyltransferase G9a/GLP (EHMT2/1) inhibitors: Design, synthesis, and structure-activity relationships of 2,4-diamino-6-methylpyrimidines. Bioorg.Med.Chem.Lett., 30, 2020
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5NRZ
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![BU of 5nrz by Molmil](/molmil-images/mine/5nrz) | Cys-Gly dipeptidase GliJ in complex with Mn2+ | Descriptor: | CHLORIDE ION, Dipeptidase gliJ, GLYCEROL, ... | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2017-04-25 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ. ACS Chem. Biol., 12, 2017
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5NIU
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![BU of 5niu by Molmil](/molmil-images/mine/5niu) | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | Descriptor: | (2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid, 1,2-ETHANEDIOL, Programmed cell death 1 ligand 1 | Authors: | Zak, K.M, Grudnik, P, Skalniak, L, Dubin, G, Holak, T.A. | Deposit date: | 2017-03-27 | Release date: | 2017-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Small-molecule inhibitors of PD-1/PD-L1 immune checkpoint alleviate the PD-L1-induced exhaustion of T-cells. Oncotarget, 8, 2017
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6SRU
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![BU of 6sru by Molmil](/molmil-images/mine/6sru) | Structure of Ig-like V-type domian of mouse Programmed cell death 1 ligand 1 (PD-L1) | Descriptor: | Programmed cell death 1 ligand 1 | Authors: | Magiera-Mularz, K, Sala, D, Grudnik, P, Holak, T.A. | Deposit date: | 2019-09-06 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.532 Å) | Cite: | Human and mouse PD-L1: similar molecular structure, but different druggability profiles. Iscience, 24, 2021
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7C20
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1APB
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1I77
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![BU of 1i77 by Molmil](/molmil-images/mine/1i77) | CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ESSEX 6 | Descriptor: | CYTOCHROME C3, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Einsle, O, Foerster, S, Mann, K.H, Fritz, G, Messerschmidt, A, Kroneck, P.M.H. | Deposit date: | 2001-03-08 | Release date: | 2001-08-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Spectroscopic investigation and determination of reactivity and structure of the tetraheme cytochrome c3 from Desulfovibrio desulfuricans Essex 6. Eur.J.Biochem., 268, 2001
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5QTY
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![BU of 5qty by Molmil](/molmil-images/mine/5qty) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2019-11-13 | Release date: | 2020-01-29 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa. Bioorg.Med.Chem.Lett., 30, 2020
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7D3D
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![BU of 7d3d by Molmil](/molmil-images/mine/7d3d) | Crystal structure of SPOP bound with a peptide | Descriptor: | GLU-VAL-SER-ILE-ILE-GLN-GLY-ALA-ASP-SER-THR-THR, GLYCEROL, Speckle-type POZ protein | Authors: | Yang, C.-G, Gan, J.H. | Deposit date: | 2020-09-18 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A peptide binder of E3 ligase adaptor SPOP disrupts oncogenic SPOP-protein interactions in kidney cancer cells. Chin.J.Chem., 39, 2021
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1CGO
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![BU of 1cgo by Molmil](/molmil-images/mine/1cgo) | CYTOCHROME C' | Descriptor: | CYTOCHROME C, HEME C | Authors: | Dobbs, A.J, Faber, H.R, Anderson, B.F, Baker, E.N. | Deposit date: | 1995-05-01 | Release date: | 1995-07-31 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional structure of cytochrome c' from two Alcaligenes species and the implications for four-helix bundle structures. Acta Crystallogr.,Sect.D, 52, 1996
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5LOF
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![BU of 5lof by Molmil](/molmil-images/mine/5lof) | Crystal structure of the MBP-MCL1 complex with highly selective and potent inhibitor of MCL1 | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Dokurno, P, Kotschy, A, Szlavik, Z, Murray, J, Davidson, J, Csekei, M, Paczal, A, Szabo, Z, Sipos, S, Radics, G, Proszenyak, A, Balint, B, Ondi, L, Blasko, G, Robertson, A, Surgenor, A, Chen, I, Matassova, N, Smith, J, Pedder, C, Graham, C, Geneste, O. | Deposit date: | 2016-08-09 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The MCL1 inhibitor S63845 is tolerable and effective in diverse cancer models. Nature, 538, 2016
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6TDG
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![BU of 6tdg by Molmil](/molmil-images/mine/6tdg) | Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 2 | Descriptor: | 2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline, ACETYL COENZYME *A, Glucosamine 6-phosphate N-acetyltransferase | Authors: | Raimi, O.G, Stanley, M, Lockhart, D. | Deposit date: | 2019-11-08 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Targeting a critical step in fungal hexosamine biosynthesis. J.Biol.Chem., 295, 2020
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3ABB
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![BU of 3abb by Molmil](/molmil-images/mine/3abb) | Crystal structure of CYP105D6 | Descriptor: | Cytochrome P450 hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Xu, L.H, Fushinobu, S, Takamatsu, S, Wakagi, T, Ikeda, H, Shoun, H. | Deposit date: | 2009-12-04 | Release date: | 2010-04-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Regio- and stereospecificity of filipin hydroxylation sites revealed by crystal structures of cytochrome P450 105P1 and 105D6 from Streptomyces avermitilis J.Biol.Chem., 285, 2010
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5TKS
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![BU of 5tks by Molmil](/molmil-images/mine/5tks) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | Descriptor: | ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, 1,2-ETHANEDIOL, Coagulation factor XI, ... | Authors: | Sheriff, S. | Deposit date: | 2016-10-07 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker. J. Med. Chem., 60, 2017
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