4XLP
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1M9J
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![BU of 1m9j by Molmil](/molmil-images/mine/1m9j) | human endothelial nitric oxide synthase with chlorzoxazone bound | Descriptor: | CHLORZOXAZONE, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-29 | Release date: | 2002-08-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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6Q0N
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![BU of 6q0n by Molmil](/molmil-images/mine/6q0n) | Structure of the Erbin PDB domain in complex with a high-affinity peptide | Descriptor: | Erbin, peptide | Authors: | Singer, A.U, Teyra, J, Ernst, A, Sicheri, F, Sidhu, S.S. | Deposit date: | 2019-08-02 | Release date: | 2019-11-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Comprehensive analysis of all evolutionary paths between two divergent PDZ domain specificities. Protein Sci., 29, 2020
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6Q0U
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![BU of 6q0u by Molmil](/molmil-images/mine/6q0u) | Structure of the Erbin PDZ variant E-6a with a high-affinity C-terminal peptide | Descriptor: | 1,2-ETHANEDIOL, Erbin, peptide | Authors: | Singer, A.U, Teyra, J, Ernst, A, Sicheri, F, Sidhu, S.S. | Deposit date: | 2019-08-02 | Release date: | 2019-11-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Comprehensive analysis of all evolutionary paths between two divergent PDZ domain specificities. Protein Sci., 29, 2020
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4YQY
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![BU of 4yqy by Molmil](/molmil-images/mine/4yqy) | Crystal Structure of a putative Dehydrogenase from Sulfitobacter sp. (COG1028) (TARGET EFI-513936) in its APO form | Descriptor: | MAGNESIUM ION, Putative Dehydrogenase | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-03-13 | Release date: | 2015-03-25 | Method: | X-RAY DIFFRACTION (1.381 Å) | Cite: | Crystal Structure of a putative Dehydrogenase from Sulfitobacter sp. (COG1028, TARGET EFI-513936) in its APO form To be published
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6QCV
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3LFF
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![BU of 3lff by Molmil](/molmil-images/mine/3lff) | Human p38 MAP Kinase in Complex with RL166 | Descriptor: | (4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2010-01-16 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha To be Published
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3HLL
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![BU of 3hll by Molmil](/molmil-images/mine/3hll) | Crystal Structure of Human p38alpha complexed with PH-797804 | Descriptor: | 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide, HYPOPHOSPHITE, ... | Authors: | Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G. | Deposit date: | 2009-05-27 | Release date: | 2009-07-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804. Biochemistry, 48, 2009
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4Z9O
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![BU of 4z9o by Molmil](/molmil-images/mine/4z9o) | Crystal Structure of human GGT1 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Terzyan, S.S, Hanigan, M.H. | Deposit date: | 2015-04-10 | Release date: | 2015-06-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS. J.Biol.Chem., 290, 2015
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6HWU
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![BU of 6hwu by Molmil](/molmil-images/mine/6hwu) | Crystal structure of p38alpha in complex with a photoswitchable 2-Azothiazol-based Inhibitor (compound 2) | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Mueller, M.P, Rauh, D. | Deposit date: | 2018-10-15 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach. Photochem. Photobiol. Sci., 18, 2019
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3LRI
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![BU of 3lri by Molmil](/molmil-images/mine/3lri) | Solution structure and backbone dynamics of long-[Arg(3)]insulin-like growth factor-I | Descriptor: | PROTEIN (INSULIN-LIKE GROWTH FACTOR I) | Authors: | Laajoki, L.G, Francis, G.L, Wallace, J.C, Carver, J.A, Keniry, M.A. | Deposit date: | 1999-04-13 | Release date: | 2000-05-23 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure and backbone dynamics of long-[Arg(3)]insulin-like growth factor-I J.Biol.Chem., 275, 2000
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1O8Z
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![BU of 1o8z by Molmil](/molmil-images/mine/1o8z) | Solution structure of SFTI-1(6,5), an acyclic permutant of the proteinase inhibitor SFTI-1, cis-trans-trans conformer (ct-A) | Descriptor: | CYCLIC TRYPSIN INHIBITOR | Authors: | Marx, U.C, Craik, D.J. | Deposit date: | 2002-12-09 | Release date: | 2003-03-13 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Enzymatic Cyclization of a Potent Bowman-Birk Protease Inhibitor, Sunflower Trypsin Inhibitor-1, and Solution Structure of an Acyclic Precursor Peptide J.Biol.Chem., 278, 2003
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1O8Y
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![BU of 1o8y by Molmil](/molmil-images/mine/1o8y) | Solution structure of SFTI-1(6,5), an acyclic permutant of the proteinase inhibitor SFTI-1, trans-trans-trans conformer (tt-A) | Descriptor: | CYCLIC TRYPSIN INHIBITOR | Authors: | Marx, U.C, Craik, D.J. | Deposit date: | 2002-12-09 | Release date: | 2003-03-13 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Enzymatic Cyclization of a Potent Bowman-Birk Protease Inhibitor, Sunflower Trypsin Inhibitor-1, and Solution Structure of an Acyclic Precursor Peptide J.Biol.Chem., 278, 2003
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6RDI
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![BU of 6rdi by Molmil](/molmil-images/mine/6rdi) | Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1A, monomer-masked refinement | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... | Authors: | Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. | Deposit date: | 2019-04-12 | Release date: | 2019-07-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
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6RDX
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![BU of 6rdx by Molmil](/molmil-images/mine/6rdx) | Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1F, monomer-masked refinement | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... | Authors: | Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. | Deposit date: | 2019-04-12 | Release date: | 2019-07-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
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4Y4U
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![BU of 4y4u by Molmil](/molmil-images/mine/4y4u) | Endothiapepsin in complex with fragment 14 | Descriptor: | 1-(4-bromo-2-chlorophenyl)-3-methylthiourea, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.754 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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6RDK
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![BU of 6rdk by Molmil](/molmil-images/mine/6rdk) | Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1B, composite map | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... | Authors: | Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. | Deposit date: | 2019-04-12 | Release date: | 2019-07-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
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6RE0
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![BU of 6re0 by Molmil](/molmil-images/mine/6re0) | Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 2A, monomer-masked refinement | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... | Authors: | Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. | Deposit date: | 2019-04-12 | Release date: | 2019-07-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
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6REP
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![BU of 6rep by Molmil](/molmil-images/mine/6rep) | Cryo-EM structure of Polytomella F-ATP synthase, Primary rotary state 3, composite map | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... | Authors: | Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. | Deposit date: | 2019-04-12 | Release date: | 2019-07-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
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6RD9
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![BU of 6rd9 by Molmil](/molmil-images/mine/6rd9) | CryoEM structure of Polytomella F-ATP synthase, Primary rotary state 1, composite map | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... | Authors: | Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. | Deposit date: | 2019-04-12 | Release date: | 2019-07-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
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6RDT
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![BU of 6rdt by Molmil](/molmil-images/mine/6rdt) | Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1E, composite map | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... | Authors: | Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. | Deposit date: | 2019-04-12 | Release date: | 2019-07-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
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6RDN
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![BU of 6rdn by Molmil](/molmil-images/mine/6rdn) | Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1C, monomer-masked refinement | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... | Authors: | Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. | Deposit date: | 2019-04-12 | Release date: | 2019-07-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
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6RE3
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![BU of 6re3 by Molmil](/molmil-images/mine/6re3) | Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 2B, monomer-masked refinement | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... | Authors: | Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. | Deposit date: | 2019-04-12 | Release date: | 2019-07-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
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8ACM
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![BU of 8acm by Molmil](/molmil-images/mine/8acm) | Crystal structure of WT p38alpha | Descriptor: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MAGNESIUM ION, Mitogen-activated protein kinase 14 | Authors: | Pous, J, Baginski, B, Gonzalez, L, Macias, M.J, Nebreda, A.R. | Deposit date: | 2022-07-05 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structure of WT p38alpha Res Sq
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8ACO
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![BU of 8aco by Molmil](/molmil-images/mine/8aco) | Crystal structure of WT p38alpha | Descriptor: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MAGNESIUM ION, Mitogen-activated protein kinase 14 | Authors: | Pous, J, Baginski, B, Gonzalez, L, Macias, M.J, Nebreda, A.R. | Deposit date: | 2022-07-05 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structure of WT p38alpha Res Sq
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