1BMQ
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![BU of 1bmq by Molmil](/molmil-images/mine/1bmq) | CRYSTAL STRUCTURE OF THE COMPLEX OF INTERLEUKIN-1BETA CONVERTING ENZYME (ICE) WITH A PEPTIDE BASED INHIBITOR, (3S )-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL }AMINO)-4-OXOBUTANAMIDE | Descriptor: | (3S)-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL}AMINO)-4-OXOBUTANAMIDE, PROTEIN (INTERLEUKIN-1 BETA CONVERTASE) | Authors: | Okamoto, Y, Anan, H, Nakai, E, Morihira, K, Yonetoku, Y, Kurihara, H, Katayama, N, Sakashita, H, Terai, Y, Takeuchi, M, Shibanuma, T, Isomura, Y. | Deposit date: | 1998-07-24 | Release date: | 1998-07-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Peptide based interleukin-1 beta converting enzyme (ICE) inhibitors: synthesis, structure activity relationships and crystallographic study of the ICE-inhibitor complex. Chem.Pharm.Bull., 47, 1999
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5UVT
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![BU of 5uvt by Molmil](/molmil-images/mine/5uvt) | BRD4_BD2_A-1454056 | Descriptor: | 7-(cyclopropylmethyl)-2-methyl-10-[(propan-2-yl)sulfonyl]-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one, Bromodomain-containing protein 4 | Authors: | Park, C.H. | Deposit date: | 2017-02-20 | Release date: | 2017-06-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Complex structure of BRD4_BD2_A-1454056 To Be Published
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4WKR
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![BU of 4wkr by Molmil](/molmil-images/mine/4wkr) | LaRP7 wrapping up the 3' hairpin of 7SK non-coding RNA (302-332) | Descriptor: | 7SK GGHP4 (300-332), La-related protein 7 | Authors: | Uchikawa, E, Natchiar, K.S, Han, X, Proux, F, Roblin, P, Zhang, E, Durand, A, Klaholz, B.P, Dock-Bregeon, A.-C. | Deposit date: | 2014-10-03 | Release date: | 2015-03-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural insight into the mechanism of stabilization of the 7SK small nuclear RNA by LARP7. Nucleic Acids Res., 43, 2015
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3K47
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![BU of 3k47 by Molmil](/molmil-images/mine/3k47) | Alternate Binding Modes Observed for the E- and Z-Isomers of 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Mouse Dihydrofolate Reductase | Descriptor: | 5-[(1E)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Pace, J, Queener, S.F, Gangjee, A. | Deposit date: | 2009-10-05 | Release date: | 2009-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors. Bioorg.Med.Chem., 17, 2009
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1BKU
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![BU of 1bku by Molmil](/molmil-images/mine/1bku) | EFFECTS OF GLYCOSYLATION ON THE STRUCTURE AND DYNAMICS OF EEL CALCITONIN, NMR, 10 STRUCTURES | Descriptor: | CALCITONIN | Authors: | Hashimoto, Y, Nishikido, J, Toma, K, Yamamoto, K, Haneda, K, Inazu, T, Valentine, K, Opella, S.J. | Deposit date: | 1998-07-13 | Release date: | 1999-01-13 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Effects of glycosylation on the structure and dynamics of eel calcitonin in micelles and lipid bilayers determined by nuclear magnetic resonance spectroscopy. Biochemistry, 38, 1999
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5V9U
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![BU of 5v9u by Molmil](/molmil-images/mine/5v9u) | Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C | Descriptor: | (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | Authors: | Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y. | Deposit date: | 2017-03-23 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor. Cell, 172, 2018
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1BPY
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![BU of 1bpy by Molmil](/molmil-images/mine/1bpy) | HUMAN DNA POLYMERASE BETA COMPLEXED WITH GAPPED DNA AND DDCTP | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*DOC)-3'), ... | Authors: | Sawaya, M.R, Pelletier, H, Prasad, R, Wilson, S.H, Kraut, J. | Deposit date: | 1997-04-15 | Release date: | 1997-06-16 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of human DNA polymerase beta complexed with gapped and nicked DNA: evidence for an induced fit mechanism. Biochemistry, 36, 1997
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1UGO
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![BU of 1ugo by Molmil](/molmil-images/mine/1ugo) | Solution structure of the first Murine BAG domain of Bcl2-associated athanogene 5 | Descriptor: | Bcl2-associated athanogene 5 | Authors: | Endoh, H, Hayashi, F, Seimiya, K, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-06-17 | Release date: | 2004-08-03 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | The C-terminal BAG domain of BAG5 induces conformational changes of the Hsp70 nucleotide-binding domain for ADP-ATP exchange Structure, 18, 2010
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5VCD
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5K5F
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![BU of 5k5f by Molmil](/molmil-images/mine/5k5f) | NMR structure of the HLTF HIRAN domain | Descriptor: | Helicase-like transcription factor | Authors: | Bezsonova, I, Neculai, D, Korzhnev, D, Weigelt, J, Bountra, C, Edwards, A, Arrowsmith, C, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-05-23 | Release date: | 2016-06-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR structure of the HLTF HIRAN domain To Be Published
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5UJ8
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![BU of 5uj8 by Molmil](/molmil-images/mine/5uj8) | Human Origin Recognition Complex subunits 2 and 3 | Descriptor: | Origin recognition complex subunit 2, Origin recognition complex subunit 3 | Authors: | Tocilj, A, On, K.F, Elkayam, E, Joshua-Tor, L. | Deposit date: | 2017-01-17 | Release date: | 2017-02-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (6 Å) | Cite: | Structure of the active form of human Origin Recognition Complex and its ATPase motor module. Elife, 6, 2017
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3JVI
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3JVR
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![BU of 3jvr by Molmil](/molmil-images/mine/3jvr) | Characterization of the Chk1 allosteric inhibitor binding site | Descriptor: | (1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate, Serine/threonine-protein kinase Chk1 | Authors: | Chen, P. | Deposit date: | 2009-09-17 | Release date: | 2009-10-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Characterization of the CHK1 allosteric inhibitor binding site. Biochemistry, 48, 2009
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3JVZ
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![BU of 3jvz by Molmil](/molmil-images/mine/3jvz) | E2~Ubiquitin-HECT | Descriptor: | E3 ubiquitin-protein ligase NEDD4-like, Ubiquitin, Ubiquitin-conjugating enzyme E2 D2 | Authors: | Souphron, J, Kamadurai, H.B, Schulman, B.A. | Deposit date: | 2009-09-17 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Insights into ubiquitin transfer cascades from a structure of a UbcH5B approximately ubiquitin-HECT(NEDD4L) complex. Mol.Cell, 36, 2009
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5KJK
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![BU of 5kjk by Molmil](/molmil-images/mine/5kjk) | SMYD2 in complex with AZ370 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, ... | Authors: | Ferguson, A. | Deposit date: | 2016-06-20 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors. J. Med. Chem., 59, 2016
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3JPS
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![BU of 3jps by Molmil](/molmil-images/mine/3jps) | Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-fluoro methyl methylene triphosphate | Descriptor: | 2'-deoxy-5'-O-[(S)-{[(S)-[(1R)-1-fluoro-1-phosphonoethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ... | Authors: | Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E. | Deposit date: | 2009-09-04 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues. J.Am.Chem.Soc., 132, 2010
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1BVA
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![BU of 1bva by Molmil](/molmil-images/mine/1bva) | MANGANESE BINDING MUTANT IN CYTOCHROME C PEROXIDASE | Descriptor: | MANGANESE (II) ION, PROTEIN (CYTOCHROME C PEROXIDASE), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wilcox, S.K, Mcree, D.E, Goodin, D.B. | Deposit date: | 1998-09-15 | Release date: | 1998-12-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Rational design of a functional metalloenzyme: introduction of a site for manganese binding and oxidation into a heme peroxidase. Biochemistry, 37, 1998
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1BX4
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![BU of 1bx4 by Molmil](/molmil-images/mine/1bx4) | STRUCTURE OF HUMAN ADENOSINE KINASE AT 1.50 ANGSTROMS | Descriptor: | ADENOSINE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Mathews, I.I, Erion, M.D, Ealick, S.E. | Deposit date: | 1998-10-13 | Release date: | 1999-10-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of human adenosine kinase at 1.5 A resolution. Biochemistry, 37, 1998
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4YJ0
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![BU of 4yj0 by Molmil](/molmil-images/mine/4yj0) | Crystal structure of the DM domain of human DMRT1 bound to 25mer target DNA | Descriptor: | DNA (25-MER), Doublesex- and mab-3-related transcription factor 1, ZINC ION | Authors: | Murphy, M.W, Lee, J.K, Rojo, S, Gearhart, M.D, Kurahashi, K, Banerjee, S, Loeuille, G, Bashamboo, A, McElreavey, K, Zarkower, D, Aihara, H, Bardwell, V.J. | Deposit date: | 2015-03-02 | Release date: | 2015-05-27 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.814 Å) | Cite: | An ancient protein-DNA interaction underlying metazoan sex determination. Nat.Struct.Mol.Biol., 22, 2015
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1UCH
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![BU of 1uch by Molmil](/molmil-images/mine/1uch) | DEUBIQUITINATING ENZYME UCH-L3 (HUMAN) AT 1.8 ANGSTROM RESOLUTION | Descriptor: | UBIQUITIN C-TERMINAL HYDROLASE UCH-L3 | Authors: | Johnston, S.C, Larsen, C.N, Cook, W.J, Wilkinson, K.D, Hill, C.P. | Deposit date: | 1997-10-06 | Release date: | 1998-01-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a deubiquitinating enzyme (human UCH-L3) at 1.8 A resolution. EMBO J., 16, 1997
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3KTF
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4YWQ
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![BU of 4ywq by Molmil](/molmil-images/mine/4ywq) | Crystal structure of the ROQ domain of human Roquin-1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Dong, A, Zhang, Q, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-20 | Release date: | 2015-04-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the ROQ domain of human Roquin-1 To be Published
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5KJL
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![BU of 5kjl by Molmil](/molmil-images/mine/5kjl) | SMYD2 in complex with AZ378 | Descriptor: | N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ZINC ION | Authors: | Ferguson, A. | Deposit date: | 2016-06-20 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors. J. Med. Chem., 59, 2016
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3KVO
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![BU of 3kvo by Molmil](/molmil-images/mine/3kvo) | Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2) | Descriptor: | Hydroxysteroid dehydrogenase-like protein 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ugochukwu, E, Bhatia, C, Huang, J, Pilka, E, Muniz, J.R.C, Pike, A.C.W, Krojer, T, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Verdin, E.M, Oppermann, U, Kavanagh, K.L, Structural Genomics Consortium (SGC) | Deposit date: | 2009-11-30 | Release date: | 2010-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2) To be Published
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1CIC
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![BU of 1cic by Molmil](/molmil-images/mine/1cic) | |