8EAA
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![BU of 8eaa by Molmil](/molmil-images/mine/8eaa) | NKG2D complexed with inhibitor 4e | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, ... | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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3OAW
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![BU of 3oaw by Molmil](/molmil-images/mine/3oaw) | |
2Q1J
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![BU of 2q1j by Molmil](/molmil-images/mine/2q1j) | The discovery of glycine and related amino acid-based factor xa inhibitors | Descriptor: | 1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide, Activated factor Xa heavy chain (EC 3.4.21.6), CALCIUM ION, ... | Authors: | Kohrt, J.T, Filipski, K.J, Cody, W.L, Bigge, C.F, Zhang, E, Finzel, B.C. | Deposit date: | 2007-05-24 | Release date: | 2007-08-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Discovery of Glycine and Related Amino Acid-Based Factor Xa Inhibitors BIOORG.MED.CHEM., 14, 2006
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3GI3
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![BU of 3gi3 by Molmil](/molmil-images/mine/3gi3) | Crystal structure of a N-Phenyl-N'-Naphthylurea analog in complex with p38 MAP kinase | Descriptor: | Mitogen-activated protein kinase 14, N-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide | Authors: | Qian, K.C. | Deposit date: | 2009-03-05 | Release date: | 2009-10-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery and characterization of the N-phenyl-N'-naphthylurea class of p38 kinase inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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7LIX
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![BU of 7lix by Molmil](/molmil-images/mine/7lix) | CaRSP1 and scaffolded phycoerythrin beta subunits from the phycobilisome of Porphyridium purpureum | Descriptor: | B-phycoerythrin beta chain, CaRSP1, PHYCOERYTHROBILIN | Authors: | Rathbone, H.W, Landsberg, M.J, Michie, K.A, Green, B.R, Curmi, P.M.G. | Deposit date: | 2021-01-28 | Release date: | 2021-04-07 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Scaffolding proteins guide the evolution of algal light harvesting antennas. Nat Commun, 12, 2021
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7LJ0
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![BU of 7lj0 by Molmil](/molmil-images/mine/7lj0) | Linker 3 and scaffolded phycoerythrin beta subunit from the phycobilisome of Porphyridium purpureum | Descriptor: | B-phycoerythrin beta chain, Linker 3, PHYCOERYTHROBILIN | Authors: | Rathbone, H.W, Landsberg, M.J, Michie, K.A, Green, B.R, Curmi, P.M.G. | Deposit date: | 2021-01-28 | Release date: | 2021-04-07 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Scaffolding proteins guide the evolution of algal light harvesting antennas. Nat Commun, 12, 2021
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7LIY
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![BU of 7liy by Molmil](/molmil-images/mine/7liy) | CaRSP2 and scaffolded phycoerythrin beta subunits from the phycobilisome of Porphyridium purpureum | Descriptor: | B-phycoerythrin beta chain, CaRSP2, PHYCOERYTHROBILIN | Authors: | Rathbone, H.W, Landsberg, M.J, Michie, K.A, Green, B.R, Curmi, P.M.G. | Deposit date: | 2021-01-28 | Release date: | 2021-04-07 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Scaffolding proteins guide the evolution of algal light harvesting antennas. Nat Commun, 12, 2021
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7LIZ
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![BU of 7liz by Molmil](/molmil-images/mine/7liz) | LR6 rod linker and scaffolded phycoerythrin beta subunits from the phycobilisome of Porphyridium purpureum | Descriptor: | B-phycoerythrin beta chain, LR6, PHYCOERYTHROBILIN | Authors: | Rathbone, H.W, Landsberg, M.J, Michie, K.A, Green, B.R, Curmi, P.M.G. | Deposit date: | 2021-01-28 | Release date: | 2021-04-07 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Scaffolding proteins guide the evolution of algal light harvesting antennas. Nat Commun, 12, 2021
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6L0V
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![BU of 6l0v by Molmil](/molmil-images/mine/6l0v) | Structure of RLD2 BRX domain bound to LZY3 CCL motif | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NGR2, ... | Authors: | Hirano, Y, Futrutani, M, Nishimura, T, Taniguchi, M, Morita, M.T, Hakoshima, T. | Deposit date: | 2019-09-27 | Release date: | 2020-02-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.347 Å) | Cite: | Polar recruitment of RLD by LAZY1-like protein during gravity signaling in root branch angle control. Nat Commun, 11, 2020
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6L0W
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![BU of 6l0w by Molmil](/molmil-images/mine/6l0w) | Structure of RLD2 BRX domain bound to LZY3 CCL motif | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, NGR2, ... | Authors: | Hirano, Y, Futrutani, M, Nishimura, T, Taniguchi, M, Morita, M.T, Hakoshima, T. | Deposit date: | 2019-09-27 | Release date: | 2020-02-05 | Method: | X-RAY DIFFRACTION (1.591 Å) | Cite: | Polar recruitment of RLD by LAZY1-like protein during gravity signaling in root branch angle control. Nat Commun, 11, 2020
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2N3V
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![BU of 2n3v by Molmil](/molmil-images/mine/2n3v) | |
2N3T
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![BU of 2n3t by Molmil](/molmil-images/mine/2n3t) | |
2N3W
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![BU of 2n3w by Molmil](/molmil-images/mine/2n3w) | |
2N3U
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![BU of 2n3u by Molmil](/molmil-images/mine/2n3u) | |
3PS6
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![BU of 3ps6 by Molmil](/molmil-images/mine/3ps6) | |
3PRZ
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![BU of 3prz by Molmil](/molmil-images/mine/3prz) | |
3PRE
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![BU of 3pre by Molmil](/molmil-images/mine/3pre) | Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors. | Descriptor: | 2-amino-8-(trans-4-methoxycyclohexyl)-4-methyl-6-(1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Knighton, D.R, Greasley, S.E, Rodgers, C.M.-L. | Deposit date: | 2010-11-29 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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5QBV
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![BU of 5qbv by Molmil](/molmil-images/mine/5qbv) | Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | Cathepsin S, N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzyl]benzamide | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-08-04 | Release date: | 2017-12-20 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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5QBY
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![BU of 5qby by Molmil](/molmil-images/mine/5qby) | Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | Cathepsin S, N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyrimidin-5-yl)benzyl]-4-fluorobenzamide | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-08-04 | Release date: | 2017-12-20 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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3IEJ
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![BU of 3iej by Molmil](/molmil-images/mine/3iej) | Pyrazole-based Cathepsin S Inhibitors with Arylalkynes as P1 Binding Elements | Descriptor: | 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol, Cathepsin S | Authors: | Bembenek, S. | Deposit date: | 2009-07-22 | Release date: | 2009-10-06 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Pyrazole-based cathepsin S inhibitors with arylalkynes as P1 binding elements. Bioorg.Med.Chem.Lett., 19, 2009
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4Z7K
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![BU of 4z7k by Molmil](/molmil-images/mine/4z7k) | |
8U0Q
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![BU of 8u0q by Molmil](/molmil-images/mine/8u0q) | Co-crystal structure of optimized analog TDI-13537 provided new insights into the potency determinants of the sulfonamide inhibitor series | Descriptor: | Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Dementiev, A.A, Michino, M, Vendome, J, Ginn, J, Bryk, R, Olland, A. | Deposit date: | 2023-08-29 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors. Acs Bio Med Chem Au, 3, 2023
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4H0B
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![BU of 4h0b by Molmil](/molmil-images/mine/4h0b) | Complex of G65T Myoglobin with DMSO in its Distal Cavity | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Myoglobin, ... | Authors: | Lebioda, L, Lovelace, L.L, Celeste, L.R, Huang, X, Wang, C, Shengfang, S, Dawson, J.H. | Deposit date: | 2012-09-07 | Release date: | 2012-11-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Complex of myoglobin with phenol bound in a proximal cavity. Acta Crystallogr.,Sect.F, 68, 2012
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7KMY
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![BU of 7kmy by Molmil](/molmil-images/mine/7kmy) | Structure of Mtb Lpd bound to 010705 | Descriptor: | Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Lima, C.D. | Deposit date: | 2020-11-03 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Whole Cell Active Inhibitors of Mycobacterial Lipoamide Dehydrogenase Afford Selectivity over the Human Enzyme through Tight Binding Interactions. Acs Infect Dis., 7, 2021
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4Z7L
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![BU of 4z7l by Molmil](/molmil-images/mine/4z7l) | Crystal structure of Cas6b | Descriptor: | Cas6b, RNA (5'-R(*GP*CP*AP*AP*AP*AP*UP*AP*AP*CP*AP*AP*GP*C)-3'), SULFATE ION | Authors: | Li, H. | Deposit date: | 2015-04-07 | Release date: | 2016-04-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.503 Å) | Cite: | A Non-Stem-Loop CRISPR RNA Is Processed by Dual Binding Cas6. Structure, 24, 2016
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