6OQN
 
 | | Crystal structure of Mcl1 with inhibitor 7 | | Descriptor: | (4S)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3H,5H,14H-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X. | | Deposit date: | 2019-04-26 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
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6OQB
 | | Co-crystal structure of Mcl1 with inhibitor 10 | | Descriptor: | (4S,7aR,9aR,10S,11E,15R)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X. | | Deposit date: | 2019-04-26 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
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6O6G
 | | Co-crystal structure of Mcl1 with inhibitor | | Descriptor: | (3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X. | | Deposit date: | 2019-03-06 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
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6OVC
 | | hMcl1 inhibitor complex | | Descriptor: | (2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Poppe, L. | | Deposit date: | 2019-05-07 | | Release date: | 2019-05-22 | | Method: | SOLUTION NMR | | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
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7JV8
 | | Human CD73 (ecto 5'-nucleotidase) in complex with compound 35 | | Descriptor: | 5'-nucleotidase, 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, ... | | Authors: | Gibbons, P, Du, X. | | Deposit date: | 2020-08-20 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production.
J.Med.Chem., 63, 2020
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7JV9
 | | Human CD73 (ecto 5'-nucleotidase) in complex with compound 12 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, 6-chloro-N-[(2-chlorophenyl)methyl]-1-[5-O-(phosphonomethyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ... | | Authors: | Gibbons, P, Du, X. | | Deposit date: | 2020-08-20 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production.
J.Med.Chem., 63, 2020
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2VIF
 | | Crystal structure of SOCS6 SH2 domain in complex with a c-KIT phosphopeptide | | Descriptor: | 1,2-ETHANEDIOL, MAST/STEM CELL GROWTH FACTOR RECEPTOR, SUPPRESSOR OF CYTOKINE SIGNALLING 6 | | Authors: | Bullock, A, Pike, A.C.W, Savitsky, P, Keates, T, Pilka, E.S, von Delft, F, Edwards, A, Weigelt, J, Arrowsmith, C.H, Knapp, S. | | Deposit date: | 2007-11-30 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural Basis for C-Kit Inhibition by the Suppressor of Cytokine Signaling 6 (Socs6) Ubiquitin Ligase.
J.Biol.Chem., 286, 2011
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3E8R
 | | Crystal structure of catalytic domain of TACE with hydroxamate inhibitor | | Descriptor: | (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide, ADAM 17, CITRIC ACID, ... | | Authors: | Orth, P. | | Deposit date: | 2008-08-20 | | Release date: | 2008-10-21 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket.
Bioorg.Med.Chem.Lett., 18, 2008
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5K1C
 | | Crystal structure of the UAF1/WDR20/USP12 complex | | Descriptor: | PHOSPHATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE, Ubiquitin carboxyl-terminal hydrolase 12, ... | | Authors: | Li, H, D'Andrea, A.D, Zheng, N. | | Deposit date: | 2016-05-18 | | Release date: | 2016-07-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Allosteric Activation of Ubiquitin-Specific Proteases by beta-Propeller Proteins UAF1 and WDR20.
Mol.Cell, 63, 2016
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5K16
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5K1B
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3JAZ
 | | Atomic model of cytoplasmic polyhedrosis virus with ATP | | Descriptor: | Capsid protein VP1, Structural protein VP3, Viral structural protein 5 | | Authors: | Yu, X.K, Jiang, J.S, Sun, J.C, Zhou, Z.H. | | Deposit date: | 2015-07-06 | | Release date: | 2015-08-12 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A putative ATPase mediates RNA transcription and capping in a dsRNA virus.
Elife, 4, 2015
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3JB0
 | | Atomic model of cytoplasmic polyhedrosis virus with GTP | | Descriptor: | Capsid protein VP1, GUANOSINE-5'-TRIPHOSPHATE, Structural protein VP3, ... | | Authors: | Yu, X.K, Jiang, J.S, Sun, J.C, Zhou, Z.H. | | Deposit date: | 2015-07-06 | | Release date: | 2015-08-12 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | A putative ATPase mediates RNA transcription and capping in a dsRNA virus.
Elife, 4, 2015
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3JB2
 | | Atomic model of cytoplasmic polyhedrosis virus with SAM and GTP | | Descriptor: | Capsid protein VP1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Yu, X.K, Jiang, J.S, Sun, J.C, Zhou, Z.H. | | Deposit date: | 2015-07-06 | | Release date: | 2015-08-12 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A putative ATPase mediates RNA transcription and capping in a dsRNA virus.
Elife, 4, 2015
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3JAY
 | | Atomic model of transcribing cytoplasmic polyhedrosis virus | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Capsid protein VP1, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Yu, X.K, Jiang, J.S, Sun, J.C, Zhou, Z.H. | | Deposit date: | 2015-07-06 | | Release date: | 2015-08-12 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | A putative ATPase mediates RNA transcription and capping in a dsRNA virus.
Elife, 4, 2015
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3JB1
 | | Atomic model of cytoplasmic polyhedrosis virus with SAM | | Descriptor: | Capsid protein VP1, S-ADENOSYLMETHIONINE, Structural protein VP3, ... | | Authors: | Yu, X.K, Jiang, J.S, Sun, J.C, Zhou, Z.H. | | Deposit date: | 2015-07-06 | | Release date: | 2015-08-12 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A putative ATPase mediates RNA transcription and capping in a dsRNA virus.
Elife, 4, 2015
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3JB3
 | | Atomic model of cytoplasmic polyhedrosis virus with SAM, GTP and ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Capsid protein VP1, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Yu, X.K, Jiang, J.S, Sun, J.C, Zhou, Z.H. | | Deposit date: | 2015-07-06 | | Release date: | 2015-08-12 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A putative ATPase mediates RNA transcription and capping in a dsRNA virus.
Elife, 4, 2015
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6TY9
 | | In situ structure of BmCPV RNA dependent RNA polymerase at initiation state | | Descriptor: | MAGNESIUM ION, Non-template RNA (5'-D(*(GTA))-R(P*GP*UP*AP*AP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3'), RNA-dependent RNA Polymerase, ... | | Authors: | Cui, Y.X, Zhang, Y.N, Sun, J.C, Zhou, Z.H. | | Deposit date: | 2019-08-08 | | Release date: | 2019-11-20 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Conservative transcription in three steps visualized in a double-stranded RNA virus.
Nat.Struct.Mol.Biol., 26, 2019
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6TZ1
 | | In situ structure of BmCPV RNA-dependent RNA polymerase at early-elongation state | | Descriptor: | Non-template RNA (5'-D(*(GTA))-R(P*GP*UP*A)-3'), RNA-dependent RNA Polymerase, Template RNA (5'-R(P*AP*GP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), ... | | Authors: | Cui, Y.X, Zhang, Y.N, Sun, J.C, Zhou, Z.H. | | Deposit date: | 2019-08-09 | | Release date: | 2019-11-20 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Conservative transcription in three steps visualized in a double-stranded RNA virus.
Nat.Struct.Mol.Biol., 26, 2019
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6TY8
 | | In situ structure of BmCPV RNA dependent RNA polymerase at quiescent state | | Descriptor: | P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, RNA-dependent RNA Polymerase, Viral structural protein 4 | | Authors: | Cui, Y.X, Zhang, Y.N, Sun, J.C, Zhou, Z.H. | | Deposit date: | 2019-08-08 | | Release date: | 2019-11-20 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Conservative transcription in three steps visualized in a double-stranded RNA virus.
Nat.Struct.Mol.Biol., 26, 2019
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6TZ2
 | | In situ structure of BmCPV RNA-dependent RNA polymerase at elongation state | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Non-template RNA (36-MER), ... | | Authors: | Cui, Y.X, Zhang, Y.N, Sun, J.C, Zhou, Z.H. | | Deposit date: | 2019-08-09 | | Release date: | 2019-11-20 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Conservative transcription in three steps visualized in a double-stranded RNA virus.
Nat.Struct.Mol.Biol., 26, 2019
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6TZ0
 | | In situ structure of BmCPV RNA-dependent RNA polymerase at abortive state | | Descriptor: | RNA-dependent RNA Polymerase, Viral structural protein 4 | | Authors: | Cui, Y.X, Zhang, Y.N, Sun, J.C, Zhou, Z.H. | | Deposit date: | 2019-08-09 | | Release date: | 2019-11-20 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Conservative transcription in three steps visualized in a double-stranded RNA virus.
Nat.Struct.Mol.Biol., 26, 2019
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6PER
 | | Crystal Structure of Ligand-Free iSeroSnFR | | Descriptor: | 1,2-ETHANEDIOL, iSeroSnFR, a soluble, ... | | Authors: | Hartanto, S, Tian, L, Fisher, A.J. | | Deposit date: | 2019-06-20 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Directed Evolution of a Selective and Sensitive Serotonin Sensor via Machine Learning.
Cell, 183, 2020
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7MGV
 | | Chryseobacterium gregarium RiPP-associated ATP-grasp ligase in complex with ADP, and a leader and core peptide | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CdnA3 Core peptide, CdnA3 Leader peptide, ... | | Authors: | Bewley, C.A, Zhao, G, Kosek, D, Dyda, F. | | Deposit date: | 2021-04-13 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Structural Basis for a Dual Function ATP Grasp Ligase That Installs Single and Bicyclic omega-Ester Macrocycles in a New Multicore RiPP Natural Product.
J.Am.Chem.Soc., 143, 2021
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4QT0
 | | Crystal structure of human muscle L-lactate dehydrogenase in complex with inhibitor 1, 3-{[3-CARBAMOYL-7-(2,4-DIMETHOXYPYRIMIDIN-5-YL)QUINOLIN-4-YL]AMINO}BENZOIC ACID | | Descriptor: | 3-{[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino}benzoic acid, L-lactate dehydrogenase A chain | | Authors: | Kolappan, S, Craig, L. | | Deposit date: | 2014-07-06 | | Release date: | 2014-12-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms.
Acta Crystallogr.,Sect.D, 71, 2015
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