7Q7D
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7Q7G
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![BU of 7q7g by Molmil](/molmil-images/mine/7q7g) | Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 30 MPa helium gas pressure in a sapphire capillary | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | Authors: | Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A. | Deposit date: | 2021-11-09 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Fixed-target high-pressure macromolecular crystallography To Be Published
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7Q7E
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7Q7O
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![BU of 7q7o by Molmil](/molmil-images/mine/7q7o) | Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at atmospheric pressure after high helium gas pressure release | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | Authors: | Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A. | Deposit date: | 2021-11-09 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Fixed-target high-pressure macromolecular crystallography To Be Published
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7Q7H
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![BU of 7q7h by Molmil](/molmil-images/mine/7q7h) | Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 51 MPa helium gas pressure in a sapphire capillary | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | Authors: | Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A. | Deposit date: | 2021-11-09 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Fixed-target high-pressure macromolecular crystallography To Be Published
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7Q7M
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![BU of 7q7m by Molmil](/molmil-images/mine/7q7m) | Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 100 MPa helium gas pressure in a sapphire capillary | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | Authors: | Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A. | Deposit date: | 2021-11-09 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Fixed-target high-pressure macromolecular crystallography To Be Published
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7Q7J
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![BU of 7q7j by Molmil](/molmil-images/mine/7q7j) | Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 75 MPa helium gas pressure in a sapphire capillary | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | Authors: | Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A. | Deposit date: | 2021-11-09 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Fixed-target high-pressure macromolecular crystallography To Be Published
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7P39
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![BU of 7p39 by Molmil](/molmil-images/mine/7p39) | 4,6-alpha-glucanotransferase GtfB from Limosilactobacillus reuteri NCC 2613 complexed with acarbose | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, CALCIUM ION, Dextransucrase, ... | Authors: | Pijning, T, te Poele, E, Gangoiti, J, Boerner, T, Dijkhuizen, L. | Deposit date: | 2021-07-07 | Release date: | 2021-11-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Insights into Broad-Specificity Starch Modification from the Crystal Structure of Limosilactobacillus Reuteri NCC 2613 4,6-alpha-Glucanotransferase GtfB. J.Agric.Food Chem., 69, 2021
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7P38
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![BU of 7p38 by Molmil](/molmil-images/mine/7p38) | 4,6-alpha-glucanotransferase GtfB from Limosilactobacillus reuteri NCC 2613 | Descriptor: | CALCIUM ION, Dextransucrase, GLYCEROL, ... | Authors: | Pijning, T, te Poele, E, Gangoiti, J, Boerner, T, Dijkhuizen, L. | Deposit date: | 2021-07-07 | Release date: | 2021-11-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Insights into Broad-Specificity Starch Modification from the Crystal Structure of Limosilactobacillus Reuteri NCC 2613 4,6-alpha-Glucanotransferase GtfB. J.Agric.Food Chem., 69, 2021
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7TXM
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![BU of 7txm by Molmil](/molmil-images/mine/7txm) | Oxidized Structure of RexT | Descriptor: | HYDROGEN PEROXIDE, Transcriptional regulator | Authors: | Bridwell-Rabb, J, Li, B. | Deposit date: | 2022-02-09 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural and mechanistic basis for redox sensing by the cyanobacterial transcription regulator RexT. Commun Biol, 5, 2022
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7TXO
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![BU of 7txo by Molmil](/molmil-images/mine/7txo) | Selenomethionine Labeled Structure of RexT | Descriptor: | CHLORIDE ION, Transcriptional regulator | Authors: | Bridwell-Rabb, J, Li, B. | Deposit date: | 2022-02-09 | Release date: | 2022-03-23 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and mechanistic basis for redox sensing by the cyanobacterial transcription regulator RexT. Commun Biol, 5, 2022
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7TXN
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![BU of 7txn by Molmil](/molmil-images/mine/7txn) | Reduced Structure of RexT | Descriptor: | CHLORIDE ION, GLYCEROL, Transcriptional regulator | Authors: | Bridwell-Rabb, J, Li, B. | Deposit date: | 2022-02-09 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and mechanistic basis for redox sensing by the cyanobacterial transcription regulator RexT. Commun Biol, 5, 2022
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7OSE
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![BU of 7ose by Molmil](/molmil-images/mine/7ose) | cytochrome bd-II type oxidase with bound aurachin D | Descriptor: | Aurachin D, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-II ubiquinol oxidase subunit 1, ... | Authors: | Grauel, A, Kaegi, J, Rasmussen, T, Wohlwend, D, Boettcher, B, Friedrich, T. | Deposit date: | 2021-06-08 | Release date: | 2021-11-17 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of Escherichia coli cytochrome bd-II type oxidase with bound aurachin D. Nat Commun, 12, 2021
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8PTI
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![BU of 8pti by Molmil](/molmil-images/mine/8pti) | CRYSTAL STRUCTURE OF A Y35G MUTANT OF BOVINE PANCREATIC TRYPSIN INHIBITOR | Descriptor: | BOVINE PANCREATIC TRYPSIN INHIBITOR | Authors: | Housset, D, Kim, K.-S, Fuchs, J, Woodward, C, Wlodawer, A. | Deposit date: | 1990-12-17 | Release date: | 1991-04-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a Y35G mutant of bovine pancreatic trypsin inhibitor. J.Mol.Biol., 220, 1991
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8T4Y
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![BU of 8t4y by Molmil](/molmil-images/mine/8t4y) | Human HCN1 F186C S264C C309A bound to cAMP, reconstituted in LMNG + SPL | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 | Authors: | Burtscher, V, Mount, J, Cowgill, J, Chang, Y, Bickel, K, Yuan, P, Chanda, B. | Deposit date: | 2023-06-12 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Structural basis for hyperpolarization-dependent opening of human HCN1 channel. Nat Commun, 15, 2024
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8T50
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![BU of 8t50 by Molmil](/molmil-images/mine/8t50) | Open human HCN1 F186C S264C bound to cAMP, reconstituted in LMNG + SPL | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 | Authors: | Burtscher, V, Mount, J, Cowgill, J, Chang, Y, Bickel, K, Yuan, P, Chanda, B. | Deposit date: | 2023-06-12 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis for hyperpolarization-dependent opening of human HCN1 channel. Nat Commun, 15, 2024
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7OQH
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![BU of 7oqh by Molmil](/molmil-images/mine/7oqh) | CryoEM structure of the transcription termination factor Rho from Mycobacterium tuberculosis | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Transcription termination factor Rho | Authors: | Saridakis, E, Vishwakarma, R, Lai Kee Him, J, Martin, K, Simon, I, Cohen-Gonsaud, M, Coste, F, Bron, P, Margeat, E, Boudvillain, M. | Deposit date: | 2021-06-03 | Release date: | 2022-02-09 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Cryo-EM structure of transcription termination factor Rho from Mycobacterium tuberculosis reveals bicyclomycin resistance mechanism. Commun Biol, 5, 2022
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5K32
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![BU of 5k32 by Molmil](/molmil-images/mine/5k32) | PDE4D crystal structure in complex with small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one, MAGNESIUM ION, ... | Authors: | Segarra, V, Hernandez, B, Roberts, R, Gracia, J, Soler, M, Bonin, I, Aymami, J. | Deposit date: | 2016-05-19 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | 4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships. J. Med. Chem., 61, 2018
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5K4I
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![BU of 5k4i by Molmil](/molmil-images/mine/5k4i) | Crystal Structure of ERK2 in complex with compound 22 | Descriptor: | 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1 | Authors: | Yin, J, Wang, W. | Deposit date: | 2016-05-20 | Release date: | 2016-07-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. J.Med.Chem., 59, 2016
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8Q4S
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7TPD
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![BU of 7tpd by Molmil](/molmil-images/mine/7tpd) | Integrin alaphIIBbeta3 complex with EF5154 | Descriptor: | (4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | Deposit date: | 2022-01-25 | Release date: | 2022-08-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7U8H
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![BU of 7u8h by Molmil](/molmil-images/mine/7u8h) | Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit | Descriptor: | 1H-benzimidazol-2-ylmethanethiol, 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, GTPase KRas, ... | Authors: | Phan, J, Fesik, S.W. | Deposit date: | 2022-03-08 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor. J.Med.Chem., 65, 2022
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6U3M
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![BU of 6u3m by Molmil](/molmil-images/mine/6u3m) | DQ2-P.fluor-alpha1a | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha1a peptide, ... | Authors: | Petersen, J, Rossjohn, J. | Deposit date: | 2019-08-22 | Release date: | 2019-12-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | T cell receptor cross-reactivity between gliadin and bacterial peptides in celiac disease. Nat.Struct.Mol.Biol., 27, 2020
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7TMZ
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![BU of 7tmz by Molmil](/molmil-images/mine/7tmz) | Integrin alaphIIBbeta3 complex with BMS compound 4 | Descriptor: | (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | Deposit date: | 2022-01-20 | Release date: | 2022-08-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.20002 Å) | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7THO
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![BU of 7tho by Molmil](/molmil-images/mine/7tho) | Integrin alaphIIBbeta3 complex with Eptifibatide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | Deposit date: | 2022-01-11 | Release date: | 2022-08-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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