4QVX
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2E9P
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![BU of 2e9p by Molmil](/molmil-images/mine/2e9p) | Structure of h-CHK1 complexed with A771129 | Descriptor: | 1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA, Serine/threonine-protein kinase Chk1 | Authors: | Park, C. | Deposit date: | 2007-01-26 | Release date: | 2008-01-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Based Design, Synthesis and Biological Evaluation of Potent and Selective Macrocyclic Chk1 Inhibitors To be Published
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2E9U
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![BU of 2e9u by Molmil](/molmil-images/mine/2e9u) | Structure of h-CHK1 complexed with A780125 | Descriptor: | 18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE, Serine/threonine-protein kinase Chk1 | Authors: | Park, C. | Deposit date: | 2007-01-27 | Release date: | 2008-01-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design, Synthesis and Biological Evaluation of Potent Selective Macrocyclic Chk1 Inhibitors To be Published
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2E9V
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![BU of 2e9v by Molmil](/molmil-images/mine/2e9v) | Structure of h-CHK1 complexed with A859017 | Descriptor: | 18-CHLORO-2-OXO-17-[(PYRIDIN-4-YLMETHYL)AMINO]-2,3,11,12,13,14-HEXAHYDRO-1H,10H-4,8-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECINE-7-CARBONITRILE, Serine/threonine-protein kinase Chk1 | Authors: | Park, C. | Deposit date: | 2007-01-27 | Release date: | 2008-01-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design, Synthesis and Biological Evaluation of Potent Selective Macrocyclic Chk1 Inhibitors To be Published
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3GJW
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![BU of 3gjw by Molmil](/molmil-images/mine/3gjw) | PARP complexed with A968427 | Descriptor: | 7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one, Poly [ADP-ribose] polymerase 1 | Authors: | Park, C.H. | Deposit date: | 2009-03-09 | Release date: | 2010-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthesis and SAR of novel tricyclic quinoxalinone inhibitors of poly(ADP-ribose)polymerase-1 (PARP-1) Bioorg.Med.Chem.Lett., 19, 2009
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1HXW
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![BU of 1hxw by Molmil](/molmil-images/mine/1hxw) | HIV-1 PROTEASE DIMER COMPLEXED WITH A-84538 | Descriptor: | HIV-1 PROTEASE, RITONAVIR | Authors: | Park, C.H, Nienaber, V, Kong, X.P. | Deposit date: | 1997-01-24 | Release date: | 1998-02-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | ABT-538 is a potent inhibitor of human immunodeficiency virus protease and has high oral bioavailability in humans. Proc.Natl.Acad.Sci.USA, 92, 1995
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3GN7
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![BU of 3gn7 by Molmil](/molmil-images/mine/3gn7) | PARP complexed with A861696 | Descriptor: | 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide, Poly [ADP-ribose] polymerase 1 | Authors: | Park, C.H. | Deposit date: | 2009-03-16 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | PARP complexed with A861696 To be Published
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1C9X
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![BU of 1c9x by Molmil](/molmil-images/mine/1c9x) | H119A VARIANT OF RIBONUCLEASE A | Descriptor: | CHLORIDE ION, RIBONUCLEASE A | Authors: | Park, C, Schultz, L.W, Raines, R.T. | Deposit date: | 1999-08-03 | Release date: | 2001-06-27 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Contribution of the active site histidine residues of ribonuclease A to nucleic acid binding. Biochemistry, 40, 2001
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1C9V
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![BU of 1c9v by Molmil](/molmil-images/mine/1c9v) | H12A VARIANT OF RIBONUCLEASE A | Descriptor: | CHLORIDE ION, RIBONUCLEASE A | Authors: | Park, C, Schultz, L.W, Raines, R.T. | Deposit date: | 1999-08-03 | Release date: | 2001-06-27 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Contribution of the active site histidine residues of ribonuclease A to nucleic acid binding. Biochemistry, 40, 2001
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1YNX
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3FAY
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![BU of 3fay by Molmil](/molmil-images/mine/3fay) | Crystal structure of the GAP-related domain of IQGAP1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Ras GTPase-activating-like protein IQGAP1 | Authors: | Kurella, V.B, Richard, J.M, Parke, C.L, Bellamy, H, Worthylake, D.K. | Deposit date: | 2008-11-18 | Release date: | 2009-03-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the GTPase-activating protein-related domain from IQGAP1. J.Biol.Chem., 284, 2009
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4ZCA
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1JLK
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![BU of 1jlk by Molmil](/molmil-images/mine/1jlk) | Crystal structure of the Mn(2+)-bound form of response regulator Rcp1 | Descriptor: | MANGANESE (II) ION, Response regulator RCP1, SULFATE ION | Authors: | Im, Y.J, Rho, S.-H, Park, C.-M, Yang, S.-S, Kang, J.-G, Lee, J.Y, Song, P.-S, Eom, S.H. | Deposit date: | 2001-07-16 | Release date: | 2002-03-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a cyanobacterial phytochrome response regulator. Protein Sci., 11, 2002
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2VQY
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![BU of 2vqy by Molmil](/molmil-images/mine/2vqy) | Structure of AAC(6')-Ib in complex with Parmomycin and AcetylCoA. | Descriptor: | AAC(6')-IB, ACETYL COENZYME *A, CALCIUM ION, ... | Authors: | Vetting, M.W, Park, C.H, Hedge, S.S, Hooper, D.C, Blanchard, J.S. | Deposit date: | 2008-03-20 | Release date: | 2008-09-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanistic and Structural Analysis of Aminoglycoside N-Acetyltransferase Aac(6')-Ib and its Bifunctional, Fluoroquinolone-Active Aac(6')-Ib-Cr Variant. Biochemistry, 47, 2008
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6VIX
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![BU of 6vix by Molmil](/molmil-images/mine/6vix) | BRD4_Bromodomain2 complex with pyrrolopyridone compound 18 | Descriptor: | 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Longenecker, K.L, Park, C.H, Qiu, W. | Deposit date: | 2020-01-14 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.116 Å) | Cite: | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J.Med.Chem., 63, 2020
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1JN4
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![BU of 1jn4 by Molmil](/molmil-images/mine/1jn4) | The Crystal Structure of Ribonuclease A in complex with 2'-deoxyuridine 3'-pyrophosphate (P'-5') adenosine | Descriptor: | ADENOSINE-5'-[TRIHYDROGEN DIPHOSPHATE] P'-3'-ESTER WITH 2'-DEOXYURIDINE, Pancreatic Ribonuclease A | Authors: | Jardine, A.M, Leonidas, D.D, Jenkins, J.L, Park, C, Raines, R.T, Acharya, K.R, Shapiro, R. | Deposit date: | 2001-07-23 | Release date: | 2003-06-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cleavage of 3',5'-Pyrophosphate-Linked Dinucleotides by Ribonuclease A and Angiogenin Biochemistry, 40, 2001
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4CMR
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![BU of 4cmr by Molmil](/molmil-images/mine/4cmr) | The crystal structure of novel exo-type maltose-forming amylase(Py04_0872) from Pyrococcus sp. ST04 | Descriptor: | GLYCOSYL HYDROLASE/DEACETYLASE FAMILY PROTEIN | Authors: | Park, K.-H, Jung, J.-H, Park, C.-S, Woo, E.-J. | Deposit date: | 2014-01-17 | Release date: | 2014-10-22 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Features Underlying the Selective Cleavage of a Novel Exo-Type Maltose-Forming Amylase from Pyrococcus Sp. St04 Acta Crystallogr.,Sect.D, 70, 2014
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4AEE
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![BU of 4aee by Molmil](/molmil-images/mine/4aee) | CRYSTAL STRUCTURE OF MALTOGENIC AMYLASE FROM S.MARINUS | Descriptor: | ALPHA AMYLASE, CATALYTIC REGION | Authors: | Jung, T.Y, Park, C.H, Yoon, S.M, Park, S.H, Park, K.H, Woo, E.J. | Deposit date: | 2012-01-10 | Release date: | 2012-01-18 | Last modified: | 2012-03-21 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Association of Novel Domain in Active Site of Archaic Hyperthermophilic Maltogenic Amylase from Staphylothermus Marinus. J.Biol.Chem., 287, 2012
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6E6J
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![BU of 6e6j by Molmil](/molmil-images/mine/6e6j) | BRD2_Bromodomain2 complex with inhibitor 744 | Descriptor: | Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | Authors: | Longenecker, K.L, Park, C.H, Bigelow, L. | Deposit date: | 2018-07-25 | Release date: | 2019-07-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer. Nature, 578, 2020
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1M7E
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![BU of 1m7e by Molmil](/molmil-images/mine/1m7e) | Crystal structure of the phosphotyrosine binding domain(PTB) of mouse Disabled 2(Dab2):implications for Reeling signaling | Descriptor: | Disabled homolog 2, NGYENPTYK peptide | Authors: | Yun, M, Keshvara, L, Park, C.-G, Zhang, Y.-M, Dickerson, J.B, Zheng, J, Rock, C.O, Curran, T, Park, H.-W. | Deposit date: | 2002-07-19 | Release date: | 2003-08-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structures of the Dab homology domains of mouse disabled 1 and 2 J.Biol.Chem., 278, 2003
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1N6M
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![BU of 1n6m by Molmil](/molmil-images/mine/1n6m) | Rotation of the stalk/neck and one head in a new crystal structure of the kinesin motor protein, Ncd | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Claret segregational protein, MAGNESIUM ION | Authors: | Yun, M, Bronner, C.E, Park, C.-G, Cha, S.-S, Park, H.-W, Endow, S.A. | Deposit date: | 2002-11-11 | Release date: | 2003-10-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Rotation of the stalk/neck and one head in a new crystal structure of the kinesin motor protein, Ncd EMBO J., 22, 2003
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4ZZ7
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![BU of 4zz7 by Molmil](/molmil-images/mine/4zz7) | Crystal structure of methylmalonate-semialdehyde dehydrogenase (DddC) from Oceanimonas doudoroffii | Descriptor: | Methylmalonate-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Do, H, Lee, C.W, Lee, S.G, Kang, H, Park, C.M, Kim, H.J, Park, H, Park, H, Lee, J.H. | Deposit date: | 2015-05-22 | Release date: | 2016-04-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure and modeling of the tetrahedral intermediate state of methylmalonate-semialdehyde dehydrogenase (MMSDH) from Oceanimonas doudoroffii. J. Microbiol., 54, 2016
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2X1I
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![BU of 2x1i by Molmil](/molmil-images/mine/2x1i) | glycoside hydrolase family 77 4-alpha-glucanotransferase from thermus brockianus | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 4-ALPHA-GLUCANOTRANSFERASE, PHOSPHATE ION, ... | Authors: | Yoon, S.-M, Jung, J.-H, Jung, T.-Y, Song, H.-N, Park, C.-S, Woo, E.-J. | Deposit date: | 2009-12-28 | Release date: | 2010-10-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural and Functional Analysis of Substrate Recognition by the 250S Loop in Amylomaltase from Thermus Brockianus. Proteins, 79, 2011
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6VIZ
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![BU of 6viz by Molmil](/molmil-images/mine/6viz) | BRD4_Bromodomain1 complex with pyrrolopyridone compound 27 | Descriptor: | 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Longenecker, K.L, Park, C.H, Qiu, W. | Deposit date: | 2020-01-14 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.391 Å) | Cite: | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J.Med.Chem., 63, 2020
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6VIW
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![BU of 6viw by Molmil](/molmil-images/mine/6viw) | BRD4_Bromodomain1 complex with pyrrolopyridone compound 18 | Descriptor: | 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Longenecker, K.L, Park, C.H, Qiu, W. | Deposit date: | 2020-01-14 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.429 Å) | Cite: | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J.Med.Chem., 63, 2020
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