5GJ3
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![BU of 5gj3 by Molmil](/molmil-images/mine/5gj3) | Periplasmic heme-binding protein RhuT from Roseiflexus sp. RS-1 in two-heme bound form (holo-2) | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Periplasmic binding protein, ZINC ION | Authors: | Rahman, M.M, Naoe, Y, Nakamura, N, Shiro, Y, Sugimoto, H. | Deposit date: | 2016-06-26 | Release date: | 2017-06-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for binding and transfer of heme in bacterial heme-acquisition systems. Proteins, 85, 2017
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5GIZ
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![BU of 5giz by Molmil](/molmil-images/mine/5giz) | Periplasmic heme-binding protein BhuT in apo form | Descriptor: | CHLORIDE ION, Putative hemin transport system, substrate-binding protein, ... | Authors: | Nakamura, N, Naoe, Y, Rahman, M.M, Shiro, Y, Sugimoto, H. | Deposit date: | 2016-06-26 | Release date: | 2017-06-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for binding and transfer of heme in bacterial heme-acquisition systems. Proteins, 85, 2017
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1Y1B
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![BU of 1y1b by Molmil](/molmil-images/mine/1y1b) | Solution structure of Anemonia elastase inhibitor | Descriptor: | Elastase inhibitor | Authors: | Hemmi, H, Kumazaki, T, Yoshizawa-Kumagaye, K, Nishiuchi, Y, Yoshida, T, Ohkubo, T, Kobayashi, Y. | Deposit date: | 2004-11-18 | Release date: | 2005-07-19 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Structural and Functional Study of an Anemonia Elastase Inhibitor, a "Nonclassical" Kazal-Type Inhibitor from Anemonia sulcata Biochemistry, 44, 2005
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2WOQ
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![BU of 2woq by Molmil](/molmil-images/mine/2woq) | Porphobilinogen Synthase (HemB) in Complex with 5-acetamido-4- oxohexanoic acid (Alaremycin 2) | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ALAREMYCIN 2, ... | Authors: | Heinemann, I.U, Schulz, C, Schubert, W.-D, Heinz, D.W, Wang, Y.-G, Kobayashi, Y, Awa, Y, Wachi, M, Jahn, D, Jahn, M. | Deposit date: | 2009-07-27 | Release date: | 2009-10-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of the heme biosynthetic Pseudomonas aeruginosa porphobilinogen synthase in complex with the antibiotic alaremycin. Antimicrob. Agents Chemother., 54, 2010
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2F7X
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![BU of 2f7x by Molmil](/molmil-images/mine/2f7x) | Protein Kinase A bound to (S)-2-(1H-Indol-3-yl)-1-[5-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yloxymethyl]-ethylamine | Descriptor: | (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE, PKI, inhibitory peptide, ... | Authors: | Li, Q, Li, T, Zhu, G.D, Gong, J, Claibone, A, Dalton, C, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Bauch, J.L, Marsh, K.C, Bouska, J.J, Arries, S, De Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | Deposit date: | 2005-12-01 | Release date: | 2006-06-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation. Bioorg.Med.Chem.Lett., 16, 2006
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1J23
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![BU of 1j23 by Molmil](/molmil-images/mine/1j23) | Crystal structure of archaeal XPF/Mus81 homolog, Hef from Pyrococcus furiosus, nuclease domain | Descriptor: | ATP-dependent RNA helicase, putative | Authors: | Nishino, T, Komori, K, Ishino, Y, Morikawa, K. | Deposit date: | 2002-12-25 | Release date: | 2003-04-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | X-Ray and Biochemical Anatomy of an Archaeal XPF/Rad1/Mus81 Family Nuclease. Similarity between Its Endonuclease Domain and Restriction Enzymes Structure, 11, 2003
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1IU1
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![BU of 1iu1 by Molmil](/molmil-images/mine/1iu1) | Crystal structure of human gamma1-adaptin ear domain | Descriptor: | gamma1-adaptin | Authors: | Nogi, T, Shiba, Y, Kawasaki, M, Shiba, T, Matsugaki, N, Igarashi, N, Suzuki, M, Kato, R, Takatsu, H, Nakayama, K, Wakatsuki, S. | Deposit date: | 2002-02-19 | Release date: | 2002-07-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the accessory protein recruitment by the gamma-adaptin ear domain. Nat.Struct.Biol., 9, 2002
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2FH0
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2HOQ
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2FEI
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![BU of 2fei by Molmil](/molmil-images/mine/2fei) | Solution structure of the second SH3 domain of Human CMS protein | Descriptor: | CD2-associated protein | Authors: | Yao, B, Dai, H, Jiao, Y, Wu, J, Shi, Y. | Deposit date: | 2005-12-15 | Release date: | 2006-12-05 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the second SH3 domain of human CMS and a newly identified binding site at the C-terminus of c-Cbl Biochim.Biophys.Acta, 1774, 2007
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1J22
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![BU of 1j22 by Molmil](/molmil-images/mine/1j22) | Crystal structure of archaeal XPF/Mus81 homolog, Hef from Pyrococcus furiosus, nuclease domain, selenomet derivative | Descriptor: | ATP-dependent RNA helicase, putative | Authors: | Nishino, T, Komori, K, Ishino, Y, Morikawa, K. | Deposit date: | 2002-12-25 | Release date: | 2003-04-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-Ray and Biochemical Anatomy of an Archaeal XPF/Rad1/Mus81 Family Nuclease. Similarity between Its Endonuclease Domain and Restriction Enzymes Structure, 11, 2003
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1ISQ
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![BU of 1isq by Molmil](/molmil-images/mine/1isq) | Pyrococcus furiosus PCNA complexed with RFCL PIP-box peptide | Descriptor: | Proliferating Cell Nuclear Antigen, replication factor C large subunit | Authors: | Matsumiya, S, Ishino, S, Ishino, Y, Morikawa, K. | Deposit date: | 2001-12-19 | Release date: | 2002-10-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Physical interaction between proliferating cell nuclear antigen and
replication factor C from Pyrococcus furiosus Genes Cells, 7, 2002
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2F1S
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![BU of 2f1s by Molmil](/molmil-images/mine/2f1s) | Crystal Structure of a Viral FLIP MC159 | Descriptor: | Viral CASP8 and FADD-like apoptosis regulator | Authors: | Li, F.-Y, Jeffrey, P.D, Yu, J.W, Shi, Y. | Deposit date: | 2005-11-15 | Release date: | 2005-11-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structure of a Viral FLIP: INSIGHTS INTO FLIP-MEDIATED INHIBITION OF DEATH RECEPTOR SIGNALING. J.Biol.Chem., 281, 2006
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2F7Z
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![BU of 2f7z by Molmil](/molmil-images/mine/2f7z) | Protein Kinase A bound to (R)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-yl-[1,7]naphtyridin-5-yloxy)-ehylamine | Descriptor: | (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE, PKI, inhibitory peptide, ... | Authors: | Li, Q, Woods, K.W, Thomas, S, Zhu, G.D, Packard, G, Fisher, J, Li, T, Gong, J, Dinges, J, Song, X, Abrams, J, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Des Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | Deposit date: | 2005-12-01 | Release date: | 2006-06-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer. Bioorg.Med.Chem.Lett., 16, 2006
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6IOY
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![BU of 6ioy by Molmil](/molmil-images/mine/6ioy) | Crystal structure of Porphyromonas gingivalis acetate kinase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Acetate kinase, SULFATE ION | Authors: | Kezuka, Y, Yoshida, Y, Nonaka, T. | Deposit date: | 2018-10-31 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Characterization of the phosphotransacetylase-acetate kinase pathway for ATP production inPorphyromonas gingivalis. J Oral Microbiol, 11, 2019
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3VQU
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![BU of 3vqu by Molmil](/molmil-images/mine/3vqu) | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide | Descriptor: | 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Higashino, K, Okano, Y, Tadano, G, Tachibana, Y, Sato, Y, Inoue, M, Wada, T, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Tagashira, S, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Yamamoto, T, Higaki, M, Endoh, T, Ueda, K, Shiota, T, Murai, H, Nakamura, Y. | Deposit date: | 2012-03-30 | Release date: | 2012-06-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation. Acs Med.Chem.Lett., 3, 2012
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6IOX
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7CET
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![BU of 7cet by Molmil](/molmil-images/mine/7cet) | Crystal structure of D-cycloserine-bound form of cysteine desulfurase NifS from Helicobacter pylori | Descriptor: | (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, CHLORIDE ION, Cysteine desulfurase IscS, ... | Authors: | Nakamura, R, Takahashi, Y, Fujishiro, T. | Deposit date: | 2020-06-24 | Release date: | 2021-06-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms. Febs J., 2022
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7CEU
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![BU of 7ceu by Molmil](/molmil-images/mine/7ceu) | Crystal structure of L-cycloserine-bound form of cysteine desulfurase NifS from Helicobacter pylori | Descriptor: | (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Cysteine desulfurase IscS, ISOPROPYL ALCOHOL | Authors: | Nakamura, R, Takahashi, Y, Fujishiro, T. | Deposit date: | 2020-06-24 | Release date: | 2021-06-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms. Febs J., 2022
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2IS8
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![BU of 2is8 by Molmil](/molmil-images/mine/2is8) | Crystal structure of the Molybdopterin biosynthesis enzyme MoaB (TTHA0341) from thermus theromophilus HB8 | Descriptor: | FORMIC ACID, Molybdopterin biosynthesis enzyme, MoaB | Authors: | Jeyakanthan, J, Kanaujia, S.P, Vasuki Ranjani, C, Sekar, K, Baba, S, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-10-16 | Release date: | 2007-10-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal structure of the molybdopterin biosynthesis enzyme MoaB (TTHA0341) from thermus theromophilus HB8 To be Published
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6IOW
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7E6E
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![BU of 7e6e by Molmil](/molmil-images/mine/7e6e) | Crystal structure of PMP-bound form of cysteine desulfurase SufS R376A from Bacillus subtilis in D-cycloserine-inhibition | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Cysteine desulfurase SufS, ... | Authors: | Nakamura, R, Takahashi, Y, Fujishiro, T. | Deposit date: | 2021-02-22 | Release date: | 2022-03-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms. Febs J., 289, 2022
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7E6C
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![BU of 7e6c by Molmil](/molmil-images/mine/7e6c) | Crystal structure of L-cycloserine-bound form of cysteine desulfurase SufS C361A from Bacillus subtilis | Descriptor: | (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, 1,2-ETHANEDIOL, Cysteine desulfurase SufS, ... | Authors: | Nakamura, R, Takahashi, Y, Fujishiro, T. | Deposit date: | 2021-02-22 | Release date: | 2022-03-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms. Febs J., 289, 2022
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7E6F
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![BU of 7e6f by Molmil](/molmil-images/mine/7e6f) | Crystal structure of PMP-bound form of cysteine desulfurase SufS R376A from Bacillus subtilis in L-cycloserine-inhibition | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Cysteine desulfurase SufS, ... | Authors: | Nakamura, R, Takahashi, Y, Fujishiro, T. | Deposit date: | 2021-02-22 | Release date: | 2022-03-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms. Febs J., 289, 2022
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7E6D
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![BU of 7e6d by Molmil](/molmil-images/mine/7e6d) | |