5HVU
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4PHV
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![BU of 4phv by Molmil](/molmil-images/mine/4phv) | X-RAY CRYSTAL STRUCTURE OF THE HIV PROTEASE COMPLEX WITH L-700,417, AN INHIBITOR WITH PSEUDO C2 SYMMETRY | Descriptor: | HIV-1 PROTEASE, N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE | Authors: | Bone, R. | Deposit date: | 1991-10-04 | Release date: | 1993-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-Ray Crystal Structure of the HIV Protease Complex with L-700,417, an Inhibitor with Pseudo C2 Symmetry J.Am.Chem.Soc., 113, 1991
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3CYO
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3I4B
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![BU of 3i4b by Molmil](/molmil-images/mine/3i4b) | Crystal structure of GSK3b in complex with a pyrimidylpyrrole inhibitor | Descriptor: | Glycogen synthase kinase-3 beta, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide | Authors: | Ter Haar, E. | Deposit date: | 2009-07-01 | Release date: | 2010-01-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control. J.Med.Chem., 52, 2009
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3I60
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3I5Z
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6MAZ
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6MAY
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5UZK
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![BU of 5uzk by Molmil](/molmil-images/mine/5uzk) | Crystal Structure of PKA bound to an pyrrolo pyridine inhibitor | Descriptor: | 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Jacobs, M.D, Brown, K. | Deposit date: | 2017-02-26 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
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5UZJ
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![BU of 5uzj by Molmil](/molmil-images/mine/5uzj) | Crystal Structure of ROCK1 bound to an aminopyridine inhibitor | Descriptor: | N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide, Rho-associated protein kinase 1 | Authors: | Jacobs, M.D. | Deposit date: | 2017-02-26 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
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5KKT
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![BU of 5kkt by Molmil](/molmil-images/mine/5kkt) | ROCK 1 bound to azaindole thiazole piperazine inhibitor | Descriptor: | 2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide, Rho-associated protein kinase 1 | Authors: | Jacobs, M.D. | Deposit date: | 2016-06-22 | Release date: | 2017-06-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors Bioorg.Med.Chem.Lett., 2018
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5KKS
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![BU of 5kks by Molmil](/molmil-images/mine/5kks) | ROCK 1 bound to azaindole thiazole inhibitor | Descriptor: | 2-[3-(methylsulfonylamino)phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide, Rho-associated protein kinase 1 | Authors: | Jacobs, M.D. | Deposit date: | 2016-06-22 | Release date: | 2017-06-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors Bioorg.Med.Chem.Lett., 2018
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3L1S
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6B2Q
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![BU of 6b2q by Molmil](/molmil-images/mine/6b2q) | Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis | Descriptor: | 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside, 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknA | Authors: | Zuccola, H.J. | Deposit date: | 2017-09-20 | Release date: | 2018-02-14 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions. ACS Med Chem Lett, 8, 2017
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6B2P
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![BU of 6b2p by Molmil](/molmil-images/mine/6b2p) | Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis | Descriptor: | 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknB | Authors: | Zuccola, H.J. | Deposit date: | 2017-09-20 | Release date: | 2018-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions. ACS Med Chem Lett, 8, 2017
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2OJG
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2OJJ
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2OJI
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2OK1
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8QTO
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![BU of 8qto by Molmil](/molmil-images/mine/8qto) | CRYSTAL STRUCTURE OF HOLO-L28H-FNR OF A. FISCHERI | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, FNR type regulator, IRON/SULFUR CLUSTER | Authors: | Volbeda, A, Fontecilla-Camps, J.C. | Deposit date: | 2023-10-13 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Probing the Reactivity of [4Fe-4S] Fumarate and Nitrate Reduction (FNR) Regulator with O2 and NO: Increased O2 Resistance and Relative Specificity for NO of the [4Fe-4S] L28H FNR Cluster Inorganics (Basel), 11, 2023
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1UBI
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![BU of 1ubi by Molmil](/molmil-images/mine/1ubi) | SYNTHETIC STRUCTURAL AND BIOLOGICAL STUDIES OF THE UBIQUITIN SYSTEM. PART 1 | Descriptor: | UBIQUITIN | Authors: | Alexeev, D, Bury, S.M, Turner, M.A, Ogunjobi, O.M, Muir, T.W, Ramage, R, Sawyer, L. | Deposit date: | 1994-02-03 | Release date: | 1994-05-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthetic, structural and biological studies of the ubiquitin system: the total chemical synthesis of ubiquitin. Biochem.J., 299, 1994
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3G9N
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3G90
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3G9L
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7RCU
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![BU of 7rcu by Molmil](/molmil-images/mine/7rcu) | Synthetic Max homodimer mimic in complex with DNA | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 2-(2,5-dioxopyrrolidin-1-yl)acetamide, ACETAMIDE, ... | Authors: | Speltz, T, Qiao, Z, Shangguan, S, Fanning, S, Greene, J, Moellering, R. | Deposit date: | 2021-07-08 | Release date: | 2022-09-14 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Targeting MYC with modular synthetic transcriptional repressors derived from bHLH DNA-binding domains. Nat.Biotechnol., 41, 2023
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