8GD1
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![BU of 8gd1 by Molmil](/molmil-images/mine/8gd1) | Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with ZXC-I-092 | Descriptor: | (3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Tolbert, W.D, Nguyen, D.N, Pazgier, M. | Deposit date: | 2023-03-03 | Release date: | 2023-06-07 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC. Viruses, 15, 2023
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8GD3
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![BU of 8gd3 by Molmil](/molmil-images/mine/8gd3) | Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with DL-I-101 | Descriptor: | (3S,5R)-N-(4-chloro-3-fluorophenyl)-1-(4-glycylpiperazine-1-carbonyl)-5-(hydroxymethyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Tolbert, W.D, Nguyen, D.N, Pazgier, M. | Deposit date: | 2023-03-03 | Release date: | 2023-06-07 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC. Viruses, 15, 2023
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6Q0D
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![BU of 6q0d by Molmil](/molmil-images/mine/6q0d) | CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ... | Authors: | Dranow, D.M, Davies, D.R. | Deposit date: | 2019-08-01 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties. J.Med.Chem., 63, 2020
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6Q13
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![BU of 6q13 by Molmil](/molmil-images/mine/6q13) | CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00420737-09 AT 2.00 A RESOLUTION | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ... | Authors: | Davies, D.R, Dranow, D.M. | Deposit date: | 2019-08-02 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties. J.Med.Chem., 63, 2020
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8OL9
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![BU of 8ol9 by Molmil](/molmil-images/mine/8ol9) | |
7R30
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![BU of 7r30 by Molmil](/molmil-images/mine/7r30) | Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803 in complex with ADP and AMP resulting from ADP soak | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BICARBONATE ION, HEXAETHYLENE GLYCOL, ... | Authors: | Selim, K.A, Albrecht, R, Hartmann, M.D. | Deposit date: | 2022-02-06 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Carbon signaling protein SbtB possesses atypical redox-regulated apyrase activity to facilitate regulation of bicarbonate transporter SbtA. Proc.Natl.Acad.Sci.USA, 120, 2023
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7R31
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![BU of 7r31 by Molmil](/molmil-images/mine/7r31) | Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803, C105A+C110A variant, in complex with ATP (co-crystal), tetragonal crystal form | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Membrane-associated protein slr1513, ... | Authors: | Selim, K.A, Albrecht, R, Hartmann, M.D. | Deposit date: | 2022-02-06 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Carbon signaling protein SbtB possesses atypical redox-regulated apyrase activity to facilitate regulation of bicarbonate transporter SbtA. Proc.Natl.Acad.Sci.USA, 120, 2023
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7R32
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![BU of 7r32 by Molmil](/molmil-images/mine/7r32) | Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803, delta104 variant, in complex with ADP (co-crystal), tetragonal crystal form | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Membrane-associated protein slr1513 | Authors: | Selim, K.A, Albrecht, R, Hartmann, M.D. | Deposit date: | 2022-02-06 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Carbon signaling protein SbtB possesses atypical redox-regulated apyrase activity to facilitate regulation of bicarbonate transporter SbtA. Proc.Natl.Acad.Sci.USA, 120, 2023
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7R2Y
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![BU of 7r2y by Molmil](/molmil-images/mine/7r2y) | Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803 in complex with ATP resulting from short ATP soak, conflicting T-loop and C-loop with partial occupancy | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Membrane-associated protein slr1513, SODIUM ION | Authors: | Selim, K.A, Albrecht, R, Hartmann, M.D. | Deposit date: | 2022-02-06 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Carbon signaling protein SbtB possesses atypical redox-regulated apyrase activity to facilitate regulation of bicarbonate transporter SbtA. Proc.Natl.Acad.Sci.USA, 120, 2023
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7R2Z
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![BU of 7r2z by Molmil](/molmil-images/mine/7r2z) | |
6PXD
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![BU of 6pxd by Molmil](/molmil-images/mine/6pxd) | CryoEM structure of zebra fish alpha-1 glycine receptor, Apo state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glycine receptor subunit alphaZ1 | Authors: | Du, J, Lu, W, Gouaux, E. | Deposit date: | 2019-07-25 | Release date: | 2021-02-10 | Last modified: | 2022-08-24 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Mechanism of gating and partial agonist action in the glycine receptor. Cell, 184, 2021
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4CIM
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![BU of 4cim by Molmil](/molmil-images/mine/4cim) | Complex of a Bcl-w BH3 mutant with a BH3 domain | Descriptor: | 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 2 | Authors: | Colman, P.M, Lee, E.F, Fairlie, W.D. | Deposit date: | 2013-12-12 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (Bh3) Domains J.Biol.Chem., 289, 2014
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4CIN
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![BU of 4cin by Molmil](/molmil-images/mine/4cin) | Complex of Bcl-xL with its BH3 domain | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BCL-2-LIKE PROTEIN 1, ... | Authors: | Colman, P.M, Lee, E.F, Fairlie, W.D. | Deposit date: | 2013-12-12 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.693 Å) | Cite: | The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (Bh3) Domains J.Biol.Chem., 289, 2014
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7CHF
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![BU of 7chf by Molmil](/molmil-images/mine/7chf) | |
7CHH
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![BU of 7chh by Molmil](/molmil-images/mine/7chh) | Cryo-EM structure of the SARS-CoV-2 S-6P in complex with BD-368-2 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD-368-2 Fab heavy chain, ... | Authors: | Xiao, J, Zhu, Q, Wang, G. | Deposit date: | 2020-07-05 | Release date: | 2020-09-16 | Last modified: | 2020-11-25 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy. Cell, 183, 2020
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7CHB
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![BU of 7chb by Molmil](/molmil-images/mine/7chb) | Crystal structure of the SARS-CoV-2 RBD in complex with BD-236 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD-236 Fab heavy chain, BD-236 Fab light chain, ... | Authors: | Xiao, J, Zhu, Q. | Deposit date: | 2020-07-05 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy. Cell, 183, 2020
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7CHE
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![BU of 7che by Molmil](/molmil-images/mine/7che) | |
8EGI
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![BU of 8egi by Molmil](/molmil-images/mine/8egi) | X-ray structure of carbonmonoxy hemoglobin in complex with VZHE039-NO | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Donkor, A.K, Musayev, F.N, Safo, M.K. | Deposit date: | 2022-09-12 | Release date: | 2022-11-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design, Synthesis, and Investigation of Novel Nitric Oxide (NO)-Releasing Aromatic Aldehydes as Drug Candidates for the Treatment of Sickle Cell Disease. Molecules, 27, 2022
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5ULA
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![BU of 5ula by Molmil](/molmil-images/mine/5ula) | |
7YFK
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![BU of 7yfk by Molmil](/molmil-images/mine/7yfk) | The structure of human pregnane X receptor in complex with an SRC-1 coactivator peptide and a limonoid compound, nomilin | Descriptor: | Nomilin, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 | Authors: | Xia, Y, Yao, D, Huang, C, Cao, Y. | Deposit date: | 2022-07-08 | Release date: | 2023-06-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pregnane X receptor agonist nomilin extends lifespan and healthspan in preclinical models through detoxification functions. Nat Commun, 14, 2023
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7CHC
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![BU of 7chc by Molmil](/molmil-images/mine/7chc) | |
7CH5
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![BU of 7ch5 by Molmil](/molmil-images/mine/7ch5) | |
7CH4
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![BU of 7ch4 by Molmil](/molmil-images/mine/7ch4) | |
6KSQ
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![BU of 6ksq by Molmil](/molmil-images/mine/6ksq) | Middle Domain of Human HSP90 Alpha | Descriptor: | Heat shock protein HSP 90-alpha | Authors: | Su, H.X, Zhou, C, Zhang, N.X, Xu, Y.C. | Deposit date: | 2019-08-25 | Release date: | 2020-02-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Allosteric Regulation of Hsp90 alpha's Activity by Small Molecules Targeting the Middle Domain of the Chaperone. Iscience, 23, 2020
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5HSJ
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![BU of 5hsj by Molmil](/molmil-images/mine/5hsj) | Structure of tyrosine decarboxylase complex with PLP at 1.9 Angstroms resolution | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Putative decarboxylase | Authors: | Ni, Y, Zhou, J, Zhu, H, Zhang, K. | Deposit date: | 2016-01-25 | Release date: | 2016-09-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of tyrosine decarboxylase and identification of key residues involved in conformational swing and substrate binding Sci Rep, 6, 2016
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