1BB0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bb0 by Molmil](/molmil-images/mine/1bb0) | THROMBIN INHIBITORS WITH RIGID TRIPEPTIDYL ALDEHYDES | Descriptor: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, HIRUGEN, SODIUM ION, ... | Authors: | Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K. | Deposit date: | 1998-04-28 | Release date: | 1999-04-27 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes. Biochemistry, 37, 1998
|
|
1AX9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ax9 by Molmil](/molmil-images/mine/1ax9) | ACETYLCHOLINESTERASE COMPLEXED WITH EDROPHONIUM, LAUE DATA | Descriptor: | ACETYLCHOLINESTERASE, EDROPHONIUM ION | Authors: | Raves, M.L, Ravelli, R.B.G, Sussman, J.L, Harel, M, Silman, I. | Deposit date: | 1997-11-03 | Release date: | 1998-02-11 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Static Laue diffraction studies on acetylcholinesterase. Acta Crystallogr.,Sect.D, 54, 1998
|
|
1UT3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ut3 by Molmil](/molmil-images/mine/1ut3) | Solution Structure of Spheniscin-2, a beta-Defensin from Penguin Stomach Preserving Food | Descriptor: | SPHENISCIN-2 | Authors: | Landon, C, Labbe, H, Thouzeau, C, Bulet, P, Vovelle, F. | Deposit date: | 2003-12-02 | Release date: | 2004-05-06 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Solution Structure of Spheniscin, a {Beta}-Defensin from the Penguin Stomach J.Biol.Chem., 279, 2004
|
|
4ZHT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zht by Molmil](/molmil-images/mine/4zht) | Crystal structure of UDP-GlcNAc 2-epimerase | Descriptor: | 2-acetamido-2-deoxy-beta-D-mannopyranose, Bifunctional UDP-N-acetylglucosamine 2-epimerase/N-acetylmannosamine kinase, CYTIDINE-5'-MONOPHOSPHATE-5-N-ACETYLNEURAMINIC ACID, ... | Authors: | Chen, S.C, Yang, C.S, Ko, T.P, Chen, Y. | Deposit date: | 2015-04-27 | Release date: | 2016-06-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Mechanism and inhibition of human UDP-GlcNAc 2-epimerase, the key enzyme in sialic acid biosynthesis. Sci Rep, 6, 2016
|
|
1B1Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1b1z by Molmil](/molmil-images/mine/1b1z) | STREPTOCOCCAL PYROGENIC EXOTOXIN A1 | Descriptor: | PROTEIN (TOXIN) | Authors: | Papageorgiou, A.C, Acharya, K.R. | Deposit date: | 1998-11-24 | Release date: | 1999-11-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structural basis for the recognition of superantigen streptococcal pyrogenic exotoxin A (SpeA1) by MHC class II molecules and T-cell receptors. EMBO J., 18, 1999
|
|
3HW8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hw8 by Molmil](/molmil-images/mine/3hw8) | ternary complex of DNA polymerase lambda of a two nucleotide gapped DNA substrate with a C in the scrunch site | Descriptor: | 1,2-ETHANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*T)-3', ... | Authors: | Garcia-Diaz, M, Bebenek, K, Larrea, A.A, Havener, J.M, Perera, L, Krahn, J.M, Pedersen, L.C, Ramsden, D.A, Kunkel, T.A. | Deposit date: | 2009-06-17 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Scrunching Durning DNA Repair Synthesis To be Published
|
|
5UVV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uvv by Molmil](/molmil-images/mine/5uvv) | BRD4 Bromodomain 2 with A-1457066 | Descriptor: | 7-(cyclopropylmethyl)-10-(ethylsulfonyl)-2-methyl-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: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | BRD4 Bromodomain 2 with A-1457066 To Be Published
|
|
3HWT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hwt by Molmil](/molmil-images/mine/3hwt) | Ternary complex of DNA polymerase lambda bound to a two nucleotide gapped DNA substrate with a scrunched dA | Descriptor: | 1,2-ETHANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*(2DT))-3', ... | Authors: | Garcia-Diaz, M, Bebenek, K, Larrea, A.A, Pedersen, L.C, Kunkel, T.A. | Deposit date: | 2009-06-18 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Scrunching during DNA repair synthesis To be Published
|
|
4ZNW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4znw by Molmil](/molmil-images/mine/4znw) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 4-Bromo-substituted OBHS derivative | Descriptor: | 4-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-05-05 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
|
|
1V7N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1v7n by Molmil](/molmil-images/mine/1v7n) | Human Thrombopoietin Functional Domain Complexed To Neutralizing Antibody TN1 Fab | Descriptor: | Monoclonal TN1 Fab Heavy Chain, Monoclonal TN1 Fab Light Chain, Thrombopoietin | Authors: | Feese, M.D, Tamada, T, Kato, Y, Maeda, Y, Hirose, M, Matsukura, Y, Shigematsu, H, Kato, T, Miyazaki, H, Kuroki, R. | Deposit date: | 2003-12-18 | Release date: | 2004-03-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of the receptor-binding domain of human thrombopoietin determined by complexation with a neutralizing antibody fragment Proc.Natl.Acad.Sci.USA, 101, 2004
|
|
5V1B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v1b by Molmil](/molmil-images/mine/5v1b) | Structure of PHD1 in complex with 1,2,4-Triazolo-[1,5-a]pyridine | Descriptor: | 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile, Egl nine homolog 2, FE (III) ION, ... | Authors: | Skene, R.J. | Deposit date: | 2017-03-01 | Release date: | 2017-06-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | 1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction. J. Med. Chem., 60, 2017
|
|
1V2A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1v2a by Molmil](/molmil-images/mine/1v2a) | Glutathione S-transferase 1-6 from Anopheles dirus species B | Descriptor: | GLUTATHIONE SULFONIC ACID, glutathione transferase gst1-6 | Authors: | Oakley, A.J. | Deposit date: | 2003-10-10 | Release date: | 2003-10-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Identification, characterization and structure of a new Delta class glutathione transferase isoenzyme. Biochem.J., 388, 2005
|
|
1BBC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bbc by Molmil](/molmil-images/mine/1bbc) | STRUCTURE OF RECOMBINANT HUMAN RHEUMATOID ARTHRITIC SYNOVIAL FLUID PHOSPHOLIPASE A2 AT 2.2 ANGSTROMS RESOLUTION | Descriptor: | PHOSPHOLIPASE A2 | Authors: | Wery, J.-P, Schevitz, R.W, Clawson, D.K, Bobbitt, J.L, Dow, E.R, Gamboa, G, Goodsonjunior, T, Hermann, R.B, Kramer, R.M, Mcclure, D.B, Mihelich, E.D, Putnam, J.E, Sharp, J.D, Stark, D.H, Teater, C, Warrick, M.W, Jones, N.D. | Deposit date: | 1992-05-04 | Release date: | 1993-10-31 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of recombinant human rheumatoid arthritic synovial fluid phospholipase A2 at 2.2 A resolution. Nature, 352, 1991
|
|
1BEA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bea by Molmil](/molmil-images/mine/1bea) | BIFUNCTIONAL HAGEMAN FACTOR/AMYLASE INHIBITOR FROM MAIZE | Descriptor: | BIFUNCTIONAL AMYLASE/SERINE PROTEASE INHIBITOR | Authors: | Behnke, C.A, Yee, V.C, Le Trong, I, Pedersen, L.C, Stenkamp, R.E, Kim, S.S, Reeck, G.R, Teller, D.C. | Deposit date: | 1998-05-13 | Release date: | 1998-08-12 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural determinants of the bifunctional corn Hageman factor inhibitor: x-ray crystal structure at 1.95 A resolution. Biochemistry, 37, 1998
|
|
5W1Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w1y by Molmil](/molmil-images/mine/5w1y) | SETD8 in complex with a covalent inhibitor | Descriptor: | 2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione, N-lysine methyltransferase KMT5A, UNKNOWN ATOM OR ION | Authors: | Tempel, W, Yu, W, Li, Y, Blum, G, Luo, M, Pittella-Silva, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-05 | Release date: | 2017-06-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | SETD8 in complex with a covalent inhibitor to be published
|
|
4ZG7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zg7 by Molmil](/molmil-images/mine/4zg7) | Structural basis for inhibition of human autotaxin by four novel compounds | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-({6-chloro-7-fluoro-2-methyl-1-[2-oxo-2-(spiro[cyclopropane-1,3'-indol]-1'(2'H)-yl)ethyl]-1H-indol-3-yl}sulfanyl)-2-fluorobenzoic acid, ... | Authors: | Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F. | Deposit date: | 2015-04-22 | Release date: | 2015-10-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis for Inhibition of Human Autotaxin by Four Potent Compounds with Distinct Modes of Binding. Mol.Pharmacol., 88, 2015
|
|
5W22
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w22 by Molmil](/molmil-images/mine/5w22) | Crystal structure of human WT-KRAS in complex with GDP | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | Deposit date: | 2017-06-05 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.762 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
|
|
4ZHX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zhx by Molmil](/molmil-images/mine/4zhx) | Novel binding site for allosteric activation of AMPK | Descriptor: | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-2, ... | Authors: | Langendorf, C.G, Ngoei, K.R, Issa, S.M.A, Ling, N, Gorman, M.A, Parker, M.W, Sakamoto, K, Scott, J.W, Oakhill, J.S, Kemp, B.E. | Deposit date: | 2015-04-27 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structural basis of allosteric and synergistic activation of AMPK by furan-2-phosphonic derivative C2 binding. Nat Commun, 7, 2016
|
|
1AQU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1aqu by Molmil](/molmil-images/mine/1aqu) | |
1AOI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1aoi by Molmil](/molmil-images/mine/1aoi) | COMPLEX BETWEEN NUCLEOSOME CORE PARTICLE (H3,H4,H2A,H2B) AND 146 BP LONG DNA FRAGMENT | Descriptor: | HISTONE H2A, HISTONE H2B, HISTONE H3, ... | Authors: | Luger, K, Maeder, A.W, Richmond, R.K, Sargent, D.F, Richmond, T.J. | Deposit date: | 1997-07-03 | Release date: | 1998-09-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the nucleosome core particle at 2.8 A resolution. Nature, 389, 1997
|
|
3LJU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lju by Molmil](/molmil-images/mine/3lju) | Crystal structure of full length centaurin alpha-1 bound with the head group of PIP3 | Descriptor: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, Arf-GAP with dual PH domain-containing protein 1, ZINC ION | Authors: | Shen, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-01-26 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Phosphorylation-independent dual-site binding of the FHA domain of KIF13 mediates phosphoinositide transport via centaurin alpha1. Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
1UV7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uv7 by Molmil](/molmil-images/mine/1uv7) | periplasmic domain of EpsM from Vibrio cholerae | Descriptor: | GENERAL SECRETION PATHWAY PROTEIN M | Authors: | Abendroth, J, Hol, W.G.J. | Deposit date: | 2004-01-15 | Release date: | 2004-04-23 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of the Periplasmic Domain of the Type II Secretion System Protein Epsm from Vibrio Cholerae: The Simplest Version of the Ferredoxin Fold J.Mol.Biol., 338, 2004
|
|
1AQH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1aqh by Molmil](/molmil-images/mine/1aqh) | ALPHA-AMYLASE FROM ALTEROMONAS HALOPLANCTIS | Descriptor: | ALPHA-AMYLASE, CALCIUM ION, CHLORIDE ION | Authors: | Aghajari, N, Haser, R. | Deposit date: | 1997-07-30 | Release date: | 1999-02-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of the psychrophilic alpha-amylase from Alteromonas haloplanctis in its native form and complexed with an inhibitor. Protein Sci., 7, 1998
|
|
4ZC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zc9 by Molmil](/molmil-images/mine/4zc9) | Crystal Structure of the BRD4a/DB-2-190 complex | Descriptor: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}butyl)acetamide, Bromodomain-containing protein 4 | Authors: | Seo, H.-S, DeAngelo, S, Bradner, J.E. | Deposit date: | 2015-04-15 | Release date: | 2015-11-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | DRUG DEVELOPMENT. Phthalimide conjugation as a strategy for in vivo target protein degradation. Science, 348, 2015
|
|
3LKX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lkx by Molmil](/molmil-images/mine/3lkx) | Human nac dimerization domain | Descriptor: | Nascent polypeptide-associated complex subunit alpha, Transcription factor BTF3 | Authors: | Liu, Y, Hu, Y, Li, X, Niu, L, Teng, M. | Deposit date: | 2010-01-28 | Release date: | 2010-03-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of the human nascent polypeptide-associated complex domain reveals a nucleic acid-binding region on the NACA subunit Biochemistry, 49, 2010
|
|