8P78
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![BU of 8p78 by Molmil](/molmil-images/mine/8p78) | Cryo-EM structure of CAK in complex with inhibitor dinaciclib | Descriptor: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | Deposit date: | 2023-05-30 | Release date: | 2024-03-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (1.9 Å) | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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8P72
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![BU of 8p72 by Molmil](/molmil-images/mine/8p72) | Cryo-EM structure of CAK in complex with inhibitor ICEC0768 | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | Deposit date: | 2023-05-30 | Release date: | 2024-03-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (1.9 Å) | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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3G4A
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![BU of 3g4a by Molmil](/molmil-images/mine/3g4a) | |
3G4C
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![BU of 3g4c by Molmil](/molmil-images/mine/3g4c) | |
6D4C
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![BU of 6d4c by Molmil](/molmil-images/mine/6d4c) | Crystal structure of Candida boidinii formate dehydrogenase V123G mutant complexed with NAD+ and azide | Descriptor: | AZIDE ION, CHLORIDE ION, Formate dehydrogenase, ... | Authors: | Guo, Q, Ye, H, Gakhar, L, Cheatum, C.M, Kohen, A. | Deposit date: | 2018-04-17 | Release date: | 2019-04-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Oscillatory Active-site Motions Correlate with Kinetic Isotope Effects in Formate Dehydrogenase Acs Catalysis, 2019
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1G0U
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![BU of 1g0u by Molmil](/molmil-images/mine/1g0u) | A GATED CHANNEL INTO THE PROTEASOME CORE PARTICLE | Descriptor: | MAGNESIUM ION, PROTEASOME COMPONENT C1, PROTEASOME COMPONENT C11, ... | Authors: | Groll, M, Bajorek, M, Kohler, A, Moroder, L, Rubin, D.M, Huber, R, Glickman, M.H, Finley, D. | Deposit date: | 2000-10-09 | Release date: | 2000-11-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A gated channel into the proteasome core particle. Nat.Struct.Biol., 7, 2000
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4TRQ
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![BU of 4trq by Molmil](/molmil-images/mine/4trq) | Crystal structure of Sac3/Thp1/Sem1 | Descriptor: | 26S proteasome complex subunit SEM1, Nuclear mRNA export protein SAC3, Nuclear mRNA export protein THP1, ... | Authors: | Hellerschmied, D, Schneider, S, Kohler, A, Clausen, T. | Deposit date: | 2014-06-17 | Release date: | 2015-08-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The Nuclear Pore-Associated TREX-2 Complex Employs Mediator to Regulate Gene Expression. Cell, 162, 2015
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7JX1
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![BU of 7jx1 by Molmil](/molmil-images/mine/7jx1) | E. coli TSase complex with a bi-substrate reaction intermediate analog | Descriptor: | (2S)-2-({4-[({(6R)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name), N-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-L-glutamic acid, PHOSPHATE ION, ... | Authors: | Finer-Moore, J, Kholodar, S.A, Stroud, R.M, Kohen, A. | Deposit date: | 2020-08-26 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog. Biochemistry, 60, 2021
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7JXF
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![BU of 7jxf by Molmil](/molmil-images/mine/7jxf) | E. coli TSase complex with a bi-substrate reaction intermediate diastereomer analog | Descriptor: | (2S)-2-({4-[({(6S)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name), 5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE, N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid, ... | Authors: | Finer-Moore, J, Kholodar, S.A, Stroud, R.M, Kohen, A, Moliner, V, Swiderek, K. | Deposit date: | 2020-08-27 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog. Biochemistry, 60, 2021
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6D4B
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![BU of 6d4b by Molmil](/molmil-images/mine/6d4b) | Crystal structure of Candida boidinii formate dehydrogenase V123A mutant complexed with NAD+ and azide | Descriptor: | AZIDE ION, CHLORIDE ION, Formate dehydrogenase, ... | Authors: | Guo, Q, Ye, H, Gakhar, L, Cheatum, C.M, Kohen, A. | Deposit date: | 2018-04-17 | Release date: | 2019-04-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Oscillatory Active-site Motions Correlate with Kinetic Isotope Effects in Formate Dehydrogenase Acs Catalysis, 2019
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4Z4A
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2UUH
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![BU of 2uuh by Molmil](/molmil-images/mine/2uuh) | Crystal structure of Human Leukotriene C4 Synthase in complex with substrate glutathione | Descriptor: | DODECYL-ALPHA-D-MALTOSIDE, GLUTATHIONE, LEUKOTRIENE C4 SYNTHASE, ... | Authors: | Martinez Molina, D, Wetterholm, A, Kohl, A, McCarthy, A.A, Niegowski, D, Ohlson, E, Hammarberg, T, Eshaghi, S, Haeggstrom, J.Z, Nordlund, P. | Deposit date: | 2007-03-02 | Release date: | 2007-07-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Basis for Synthesis of Inflammatory Mediators by Human Leukotriene C4 Synthase. Nature, 448, 2007
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2UUI
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![BU of 2uui by Molmil](/molmil-images/mine/2uui) | Crystal structure of Human Leukotriene C4 Synthase | Descriptor: | DODECYL-BETA-D-MALTOSIDE, LEUKOTRIENE C4 SYNTHASE, NICKEL (II) ION, ... | Authors: | Martinez Molina, D, Wetterholm, A, Kohl, A, McCarthy, A.A, Niegowski, D, Ohlson, E, Hammarberg, T, Eshaghi, S, Haeggstrom, J.Z, Nordlund, P. | Deposit date: | 2007-03-02 | Release date: | 2007-07-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Synthesis of Inflammatory Mediators by Human Leukotriene C4 Synthase. Nature, 448, 2007
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5DNA
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![BU of 5dna by Molmil](/molmil-images/mine/5dna) | Crystal structure of Candida boidinii formate dehydrogenase | Descriptor: | FORMATE DEHYDROGENASE, SULFATE ION | Authors: | Guo, Q, Gakhar, L, Wichersham, K, Francis, K, Vardi-Kilshtain, A, Major, D.T, Cheatum, C.M, Kohen, A. | Deposit date: | 2015-09-09 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and Kinetic Studies of Formate Dehydrogenase from Candida boidinii. Biochemistry, 55, 2016
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5DN9
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![BU of 5dn9 by Molmil](/molmil-images/mine/5dn9) | Crystal structure of Candida boidinii formate dehydrogenase complexed with NAD+ and azide | Descriptor: | AZIDE ION, CHLORIDE ION, FDH, ... | Authors: | Guo, Q, Gakhar, L, Wichersham, K, Francis, K, Vardi-Kilshtain, A, Major, D.T, Cheatum, C.M, Kohen, A. | Deposit date: | 2015-09-09 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and Kinetic Studies of Formate Dehydrogenase from Candida boidinii. Biochemistry, 55, 2016
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2IUB
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![BU of 2iub by Molmil](/molmil-images/mine/2iub) | Crystal structure of a divalent metal ion transporter CorA at 2.9 A resolution. | Descriptor: | CHLORIDE ION, DIVALENT CATION TRANSPORT-RELATED PROTEIN, MAGNESIUM ION | Authors: | Eshaghi, S, Niegowski, D, Kohl, A, Martinez Molina, D, Lesley, S.A, Nordlund, P. | Deposit date: | 2006-06-01 | Release date: | 2006-08-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of a Divalent Metal Ion Transporter Cora at 2.9 Angstrom Resolution. Science, 313, 2006
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4QLG
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![BU of 4qlg by Molmil](/molmil-images/mine/4qlg) | |
4QLF
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![BU of 4qlf by Molmil](/molmil-images/mine/4qlf) | |
4QLE
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![BU of 4qle by Molmil](/molmil-images/mine/4qle) | |
1SVX
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![BU of 1svx by Molmil](/molmil-images/mine/1svx) | Crystal structure of a designed selected Ankyrin Repeat protein in complex with the Maltose Binding Protein | Descriptor: | Ankyrin Repeat Protein off7, Maltose-binding periplasmic protein | Authors: | Binz, H.K, Amstutz, P, Kohl, A, Stumpp, M.T, Briand, C, Forrer, P, Gruetter, M.G, Plueckthun, A. | Deposit date: | 2004-03-30 | Release date: | 2004-05-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | High-affinity binders selected from designed ankyrin repeat protein libraries NAT.BIOTECHNOL., 22, 2004
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4I9H
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![BU of 4i9h by Molmil](/molmil-images/mine/4i9h) | Crystal structure of rabbit LDHA in complex with AP28669 | Descriptor: | 1-O-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-O-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-D-mannitol, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-05 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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4I8X
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![BU of 4i8x by Molmil](/molmil-images/mine/4i8x) | Crystal structure of rabbit LDHA in complex with AP27460 | Descriptor: | 6-phenylpyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-04 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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4GT9
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![BU of 4gt9 by Molmil](/molmil-images/mine/4gt9) | T. Maritima FDTS with FAD, dUMP and Folate. | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A. | Deposit date: | 2012-08-28 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Folate binding site of flavin-dependent thymidylate synthase. Proc.Natl.Acad.Sci.USA, 109, 2012
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4I9N
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![BU of 4i9n by Molmil](/molmil-images/mine/4i9n) | Crystal structure of rabbit LDHA in complex with AP28161 and AP28122 | Descriptor: | 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Kohlmann, A, Stephan, Z.G, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-05 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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4I9U
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![BU of 4i9u by Molmil](/molmil-images/mine/4i9u) | Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256 | Descriptor: | 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Kohlmann, A, Stephan, Z.G, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-05 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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